 Entering Gaussian System, Link 0=g16
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            ****
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            ****
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            ****
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                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
                222.93325020            -0.11198808009
                 26.726257934            0.64752124207
                 11.124501923            0.44241976651
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
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                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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                  1.9656663360          -0.25019961976
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                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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                  2.5207180000          -1.0707548832
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                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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                  5.9599790000          -0.83713508620273
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                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            ****
            -Ta     0
            S    2   1.00
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                 12.000000000           -1.6510077975
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
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            S    1   1.00
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  6.3502060000          -0.76096056536
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                  0.62659600547          0.51483045040
            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
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            S    1   1.00
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                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
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            F    1   1.00
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            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
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                  7.2000000000          -0.95441807252
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                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
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            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  7.3353260000          -0.72681584494
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                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
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            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.1690950000          -0.44026342153
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                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/scratch/9895355/Gau-238686.inp" -scrdir="/scratch/9895355/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    238687.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Mar-2022 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=08_d-glucose_conformer02_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq SCRF=(CPCM
 ,Solvent=Water)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,70=2101,72=1,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,53=1,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Mar 16 19:42:01 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.102422000000      1.009439000000     -0.204817000000
  C                                                -1.575246000000     -0.373892000000      0.207580000000
  C                                                 0.327467000000      1.252072000000      0.249073000000
  C                                                 1.222705000000      0.116970000000     -0.239843000000
  O                                                 0.707410000000     -1.136257000000      0.219657000000
  C                                                -0.586987000000     -1.435900000000     -0.278785000000
  O                                                -1.905352000000      2.039558000000      0.360981000000
  H                                                -1.133486000000      1.074427000000     -1.299810000000
  O                                                -2.864026000000     -0.562475000000     -0.358015000000
  H                                                -1.620722000000     -0.424836000000      1.303059000000
  H                                                 0.348165000000      1.272598000000      1.345998000000
  O                                                 0.828476000000      2.473653000000     -0.276019000000
  C                                                 2.640205000000      0.212806000000      0.286289000000
  H                                                 1.243145000000      0.121854000000     -1.337249000000
  O                                                -0.938296000000     -2.717462000000      0.138545000000
  H                                                -0.573756000000     -1.464952000000     -1.373877000000
  H                                                -2.807685000000      1.926864000000      0.037798000000
  H                                                -3.209726000000     -1.411642000000     -0.057022000000
  H                                                 0.172444000000      3.157148000000     -0.087542000000
  O                                                 3.459035000000     -0.833583000000     -0.219863000000
  H                                                 2.615473000000      0.195525000000      1.382232000000
  H                                                 3.084876000000      1.152536000000     -0.035258000000
  H                                                -0.981520000000     -2.729991000000      1.105360000000
  H                                                 3.010482000000     -1.665979000000     -0.022956000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1
 NAtoms=     24 NQM=       24 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          16           1          16           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  15.9949146   1.0078250  15.9949146   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   5.6000000   1.0000000   5.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   8.0000000   1.0000000   8.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          16          12           1          16           1           1           1           1          16
 AtmWgt=   1.0078250  15.9949146  12.0000000   1.0078250  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146
 NucSpn=           1           0           0           1           0           1           1           1           1           0
 AtZEff=   1.0000000   5.6000000   3.6000000   1.0000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   1.0000000   8.0000000   6.0000000   1.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000

  Atom        21          22          23          24
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Mar 16 19:42:01 2022, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.102422    1.009439   -0.204817
      2          6           0       -1.575246   -0.373892    0.207580
      3          6           0        0.327467    1.252072    0.249073
      4          6           0        1.222705    0.116970   -0.239843
      5          8           0        0.707410   -1.136257    0.219657
      6          6           0       -0.586987   -1.435900   -0.278785
      7          8           0       -1.905352    2.039558    0.360981
      8          1           0       -1.133486    1.074427   -1.299810
      9          8           0       -2.864026   -0.562475   -0.358015
     10          1           0       -1.620722   -0.424836    1.303059
     11          1           0        0.348165    1.272598    1.345998
     12          8           0        0.828476    2.473653   -0.276019
     13          6           0        2.640205    0.212806    0.286289
     14          1           0        1.243145    0.121854   -1.337249
     15          8           0       -0.938296   -2.717462    0.138545
     16          1           0       -0.573756   -1.464952   -1.373877
     17          1           0       -2.807685    1.926864    0.037798
     18          1           0       -3.209726   -1.411642   -0.057022
     19          1           0        0.172444    3.157148   -0.087542
     20          8           0        3.459035   -0.833583   -0.219863
     21          1           0        2.615473    0.195525    1.382232
     22          1           0        3.084876    1.152536   -0.035258
     23          1           0       -0.981520   -2.729991    1.105360
     24          1           0        3.010482   -1.665979   -0.022956
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518960   0.000000
     3  C    1.519694   2.503157   0.000000
     4  C    2.490772   2.875702   1.526089   0.000000
     5  O    2.838958   2.406629   2.418540   1.430820   0.000000
     6  C    2.500165   1.530055   2.887915   2.384933   1.419047
     7  O    1.423365   2.440746   2.370261   3.720494   4.114887
     8  H    1.097360   2.136587   2.136581   2.755338   3.253429
     9  O    2.365932   1.420005   3.721124   4.144512   3.663071
    10  H    2.144637   1.097605   2.778191   3.280119   2.664597
    11  H    2.139739   2.776047   1.097312   2.148299   2.683334
    12  O    2.424327   3.757693   1.420912   2.389703   3.645792
    13  C    3.857858   4.256811   2.535787   1.515027   2.357988
    14  H    2.751707   3.252013   2.152272   1.097607   2.072151
    15  O    3.746282   2.429566   4.167922   3.584286   2.283667
    16  H    2.787257   2.166656   3.290652   2.648732   2.070936
    17  H    1.951526   2.615571   3.213901   4.426832   4.666013
    18  H    3.213130   1.954089   4.438558   4.692177   3.936539
    19  H    2.500338   3.950919   1.940788   3.220082   4.337498
    20  O    4.919740   5.073264   3.791646   2.430046   2.802897
    21  H    4.123581   4.389324   2.763207   2.139416   2.601140
    22  H    4.193172   4.909755   2.773816   2.140545   3.309970
    23  H    3.964154   2.590313   4.278259   3.843614   2.485346
    24  H    4.909879   4.769857   3.973360   2.534185   2.375628
                    6          7          8          9         10
     6  C    0.000000
     7  O    3.771763   0.000000
     8  H    2.764579   2.070141   0.000000
     9  O    2.440093   2.864714   2.561483   0.000000
    10  H    2.143149   2.653632   3.043044   2.079403   0.000000
    11  H    3.293993   2.576204   3.038891   4.072999   2.599931
    12  O    4.157902   2.840427   2.618258   4.781147   4.110146
    13  C    3.667739   4.899458   4.183162   5.595779   4.426726
    14  H    2.626086   4.058892   2.560698   4.277389   3.933425
    15  O    1.392833   4.859415   4.060220   2.932401   2.660438
    16  H    1.095557   4.130916   2.601390   2.663039   3.056790
    17  H    4.042265   0.965066   2.306249   2.521240   2.922372
    18  H    2.632210   3.713071   3.469270   0.964982   2.312691
    19  H    4.659335   2.401545   2.740944   4.809252   4.240262
    20  O    4.091033   6.113016   5.089011   6.330378   5.318862
    21  H    3.959328   4.988113   4.692602   5.798960   4.282110
    22  H    4.499098   5.083915   4.404517   6.199586   5.140219
    23  H    1.935506   4.914892   4.503502   3.222332   2.400292
    24  H    3.613885   6.167969   5.129586   5.986638   4.974616
                   11         12         13         14         15
    11  H    0.000000
    12  O    2.074650   0.000000
    13  C    2.738538   2.951268   0.000000
    14  H    3.053689   2.613258   2.143811   0.000000
    15  O    4.362740   5.499184   4.627523   3.872773   0.000000
    16  H    3.967599   4.322517   3.987552   2.412556   1.997271
    17  H    3.478339   3.690410   5.716577   4.643064   5.007447
    18  H    4.672494   5.608079   6.080986   4.880436   2.627319
    19  H    2.374330   0.965954   3.859889   3.452706   5.982968
    20  O    4.070065   4.226204   1.421831   2.659244   4.797288
    21  H    2.510395   3.336618   1.096358   3.047013   4.760412
    22  H    3.067877   2.625768   1.088217   2.479810   5.585070
    23  H    4.224534   5.679983   4.737913   4.364458   0.967862
    24  H    4.194902   4.686336   1.939735   2.836757   4.089566
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.299730   0.000000
    18  H    2.947081   3.363963   0.000000
    19  H    4.855438   3.226527   5.684527   0.000000
    20  O    4.241907   6.852608   6.695748   5.171569   0.000000
    21  H    4.530398   5.849417   6.211874   4.110941   2.082635
    22  H    4.693478   5.943669   6.796874   3.536024   2.029469
    23  H    2.813043   5.114769   2.837971   6.116621   5.007106
    24  H    3.835644   6.838368   6.225499   5.596533   0.965844
                   21         22         23         24
    21  H    0.000000
    22  H    1.773552   0.000000
    23  H    4.644745   5.736776   0.000000
    24  H    2.365541   2.819523   4.282674   0.000000
 Stoichiometry    C6H12O6
 Framework group  C1[X(C6H12O6)]
 Deg. of freedom    66
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.102422    1.009439   -0.204817
      2          6           0       -1.575246   -0.373892    0.207580
      3          6           0        0.327467    1.252072    0.249073
      4          6           0        1.222705    0.116970   -0.239843
      5          8           0        0.707410   -1.136257    0.219657
      6          6           0       -0.586987   -1.435900   -0.278785
      7          8           0       -1.905352    2.039558    0.360981
      8          1           0       -1.133486    1.074427   -1.299810
      9          8           0       -2.864026   -0.562475   -0.358015
     10          1           0       -1.620722   -0.424836    1.303059
     11          1           0        0.348165    1.272598    1.345998
     12          8           0        0.828476    2.473653   -0.276019
     13          6           0        2.640205    0.212806    0.286289
     14          1           0        1.243145    0.121854   -1.337249
     15          8           0       -0.938296   -2.717462    0.138545
     16          1           0       -0.573756   -1.464952   -1.373877
     17          1           0       -2.807685    1.926864    0.037798
     18          1           0       -3.209726   -1.411642   -0.057022
     19          1           0        0.172444    3.157148   -0.087542
     20          8           0        3.459035   -0.833582   -0.219863
     21          1           0        2.615473    0.195525    1.382232
     22          1           0        3.084876    1.152537   -0.035258
     23          1           0       -0.981520   -2.729991    1.105360
     24          1           0        3.010482   -1.665978   -0.022956
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.1649958           0.7900368           0.4925077
 Leave Link  202 at Wed Mar 16 19:42:01 2022, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     16     17     18     19     21     22
 Centers:      23     24
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      7      9     12     15     20
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   378 symmetry adapted cartesian basis functions of A   symmetry.
 There are   354 symmetry adapted basis functions of A   symmetry.
   354 basis functions,   522 primitive gaussians,   378 cartesian basis functions
    48 alpha electrons       48 beta electrons
       nuclear repulsion energy       825.1283954554 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   24 NActive=   24 NUniq=   24 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0392654173 Hartrees.
 Nuclear repulsion after empirical dispersion term =      825.0891300381 Hartrees.
 ------------------------------------------------------------------------------
 Polarizable Continuum Model (PCM)
 =================================
 Model                : C-PCM.
 Atomic radii         : UFF (Universal Force Field).
 Polarization charges : Total charges.
 Charge compensation  : None.
 Solution method      : On-the-fly selection.
 Cavity type          : Scaled VdW (van der Waals Surface) (Alpha=1.100).
 Cavity algorithm     : GePol (No added spheres)
                        Default sphere list used, NSphG=   24.
                        Lebedev-Laikov grids with approx.  5.0 points / Ang**2.
                        Smoothing algorithm: York/Karplus (Gamma=1.0000).
                        Polarization charges: spherical gaussians, with
                                              point-specific exponents (IZeta= 3).
                        Self-potential: point-specific (ISelfS= 7).
                        Self-field    : sphere-specific E.n sum rule (ISelfD= 2).
 Solvent              : Water, Eps=  78.355300 Eps(inf)=   1.777849
 ------------------------------------------------------------------------------
 GePol: Number of generator spheres                  =      24
 GePol: Total number of spheres                      =      24
 GePol: Number of exposed spheres                    =      24 (100.00%)
 GePol: Number of points                             =    1697
 GePol: Average weight of points                     =       0.13
 GePol: Minimum weight of points                     =   0.36D-10
 GePol: Maximum weight of points                     =    0.20322
 GePol: Number of points with low weight             =      95
 GePol: Fraction of low-weight points (<1% of avg)   =       5.60%
 GePol: Cavity surface area                          =    227.410 Ang**2
 GePol: Cavity volume                                =    233.921 Ang**3
 Leave Link  301 at Wed Mar 16 19:42:02 2022, MaxMem=  5368709120 cpu:               3.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   354 RedAO= T EigKep=  2.45D-05  NBF=   354
 NBsUse=   354 1.00D-06 EigRej= -1.00D+00 NBFU=   354
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   378   377   377   378   378 MxSgAt=    24 MxSgA2=    24.
 Leave Link  302 at Wed Mar 16 19:42:02 2022, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Mar 16 19:42:02 2022, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "08_d-glucose_conformer02_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Mar 16 19:42:03 2022, MaxMem=  5368709120 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368416640 LenY=  5368273315
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Inv3:  Mode=1 IEnd=     8639427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.25D-15 for   1668    306.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.66D-15 for   1692    410.
 E= -686.777490786654    
 DIIS: error= 2.55D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -686.777490786654     IErMin= 1 ErrMin= 2.55D-03
 ErrMax= 2.55D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.65D-02 BMatP= 1.65D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.55D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.299 Goal=   None    Shift=    0.000
 GapD=    0.299 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.10D-03 MaxDP=3.02D-01              OVMax= 2.15D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.07D-03    CP:  1.03D+00
 E= -686.792851740306     Delta-E=       -0.015360953652 Rises=F Damp=F
 DIIS: error= 7.67D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -686.792851740306     IErMin= 2 ErrMin= 7.67D-04
 ErrMax= 7.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-03 BMatP= 1.65D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.67D-03
 Coeff-Com:  0.957D-01 0.904D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.950D-01 0.905D+00
 Gap=     0.290 Goal=   None    Shift=    0.000
 RMSDP=3.39D-04 MaxDP=1.48D-02 DE=-1.54D-02 OVMax= 8.08D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.84D-04    CP:  1.03D+00  1.03D+00
 E= -686.792484260824     Delta-E=        0.000367479482 Rises=F Damp=F
 DIIS: error= 1.00D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -686.792851740306     IErMin= 2 ErrMin= 7.67D-04
 ErrMax= 1.00D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.92D-03 BMatP= 1.28D-03
 IDIUse=3 WtCom= 2.40D-01 WtEn= 7.60D-01
 Coeff-Com: -0.188D-01 0.556D+00 0.463D+00
 Coeff-En:   0.000D+00 0.569D+00 0.431D+00
 Coeff:     -0.451D-02 0.566D+00 0.439D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.58D-04 MaxDP=8.11D-03 DE= 3.67D-04 OVMax= 4.60D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.24D-04    CP:  1.03D+00  1.04D+00  7.22D-01
 E= -686.793844698290     Delta-E=       -0.001360437466 Rises=F Damp=F
 DIIS: error= 1.21D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -686.793844698290     IErMin= 4 ErrMin= 1.21D-04
 ErrMax= 1.21D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.99D-05 BMatP= 1.28D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.21D-03
 Coeff-Com: -0.119D-01 0.267D+00 0.222D+00 0.523D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.119D-01 0.267D+00 0.222D+00 0.523D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.81D-05 MaxDP=1.79D-03 DE=-1.36D-03 OVMax= 6.20D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.52D-05    CP:  1.03D+00  1.04D+00  7.08D-01  9.58D-01
 E= -686.793863329607     Delta-E=       -0.000018631317 Rises=F Damp=F
 DIIS: error= 2.22D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -686.793863329607     IErMin= 5 ErrMin= 2.22D-05
 ErrMax= 2.22D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.34D-07 BMatP= 1.99D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-02 0.122D-01 0.113D-01 0.142D+00 0.836D+00
 Coeff:     -0.126D-02 0.122D-01 0.113D-01 0.142D+00 0.836D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=8.06D-06 MaxDP=3.39D-04 DE=-1.86D-05 OVMax= 1.33D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.86D-06    CP:  1.03D+00  1.04D+00  7.22D-01  9.90D-01  9.37D-01
 E= -686.793863871179     Delta-E=       -0.000000541572 Rises=F Damp=F
 DIIS: error= 4.85D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -686.793863871179     IErMin= 6 ErrMin= 4.85D-06
 ErrMax= 4.85D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.03D-08 BMatP= 5.34D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.359D-04-0.535D-02-0.400D-02 0.323D-01 0.330D+00 0.648D+00
 Coeff:     -0.359D-04-0.535D-02-0.400D-02 0.323D-01 0.330D+00 0.648D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=2.06D-06 MaxDP=6.29D-05 DE=-5.42D-07 OVMax= 3.55D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.48D-06    CP:  1.03D+00  1.04D+00  7.23D-01  9.95D-01  9.59D-01
                    CP:  7.96D-01
 E= -686.793863906158     Delta-E=       -0.000000034979 Rises=F Damp=F
 DIIS: error= 3.15D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -686.793863906158     IErMin= 7 ErrMin= 3.15D-06
 ErrMax= 3.15D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.18D-08 BMatP= 5.03D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.123D-03-0.421D-02-0.342D-02 0.199D-02 0.942D-01 0.362D+00
 Coeff-Com:  0.549D+00
 Coeff:      0.123D-03-0.421D-02-0.342D-02 0.199D-02 0.942D-01 0.362D+00
 Coeff:      0.549D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=5.50D-07 MaxDP=2.15D-05 DE=-3.50D-08 OVMax= 1.47D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.48D-07    CP:  1.03D+00  1.04D+00  7.23D-01  9.96D-01  9.62D-01
                    CP:  8.29D-01  8.89D-01
 E= -686.793863914844     Delta-E=       -0.000000008686 Rises=F Damp=F
 DIIS: error= 5.29D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -686.793863914844     IErMin= 8 ErrMin= 5.29D-07
 ErrMax= 5.29D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.24D-10 BMatP= 1.18D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.553D-04-0.160D-02-0.134D-02-0.109D-02 0.246D-01 0.135D+00
 Coeff-Com:  0.264D+00 0.581D+00
 Coeff:      0.553D-04-0.160D-02-0.134D-02-0.109D-02 0.246D-01 0.135D+00
 Coeff:      0.264D+00 0.581D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.56D-07 MaxDP=4.61D-06 DE=-8.69D-09 OVMax= 4.39D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.35D-07    CP:  1.03D+00  1.04D+00  7.23D-01  9.96D-01  9.61D-01
                    CP:  8.36D-01  8.85D-01  9.09D-01
 E= -686.793863915281     Delta-E=       -0.000000000437 Rises=F Damp=F
 DIIS: error= 1.60D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -686.793863915281     IErMin= 9 ErrMin= 1.60D-07
 ErrMax= 1.60D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.70D-11 BMatP= 5.24D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.781D-05-0.119D-03-0.118D-03-0.852D-03-0.255D-02 0.878D-02
 Coeff-Com:  0.412D-01 0.278D+00 0.676D+00
 Coeff:      0.781D-05-0.119D-03-0.118D-03-0.852D-03-0.255D-02 0.878D-02
 Coeff:      0.412D-01 0.278D+00 0.676D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=5.23D-08 MaxDP=1.52D-06 DE=-4.37D-10 OVMax= 1.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  4.27D-08    CP:  1.03D+00  1.04D+00  7.23D-01  9.96D-01  9.61D-01
                    CP:  8.39D-01  8.93D-01  9.19D-01  8.62D-01
 E= -686.793863915328     Delta-E=       -0.000000000047 Rises=F Damp=F
 DIIS: error= 3.79D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -686.793863915328     IErMin=10 ErrMin= 3.79D-08
 ErrMax= 3.79D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.30D-12 BMatP= 5.70D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.872D-06 0.236D-04 0.129D-04-0.354D-03-0.244D-02-0.251D-02
 Coeff-Com:  0.625D-02 0.992D-01 0.309D+00 0.591D+00
 Coeff:      0.872D-06 0.236D-04 0.129D-04-0.354D-03-0.244D-02-0.251D-02
 Coeff:      0.625D-02 0.992D-01 0.309D+00 0.591D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=1.42D-08 MaxDP=3.47D-07 DE=-4.66D-11 OVMax= 3.17D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  9.29D-09    CP:  1.03D+00  1.04D+00  7.23D-01  9.96D-01  9.61D-01
                    CP:  8.39D-01  8.97D-01  9.27D-01  8.71D-01  8.56D-01
 E= -686.793863915325     Delta-E=        0.000000000003 Rises=F Damp=F
 DIIS: error= 1.90D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -686.793863915328     IErMin=11 ErrMin= 1.90D-08
 ErrMax= 1.90D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.75D-13 BMatP= 3.30D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.232D-06 0.246D-04 0.191D-04-0.114D-03-0.110D-02-0.237D-02
 Coeff-Com: -0.973D-03 0.267D-01 0.103D+00 0.351D+00 0.524D+00
 Coeff:     -0.232D-06 0.246D-04 0.191D-04-0.114D-03-0.110D-02-0.237D-02
 Coeff:     -0.973D-03 0.267D-01 0.103D+00 0.351D+00 0.524D+00
 Gap=     0.286 Goal=   None    Shift=    0.000
 RMSDP=3.99D-09 MaxDP=1.45D-07 DE= 2.96D-12 OVMax= 1.11D-07

 Error on total polarization charges =  0.01589
 SCF Done:  E(RB3LYP) =  -686.793863915     A.U. after   11 cycles
            NFock= 11  Conv=0.40D-08     -V/T= 2.0094
 KE= 6.804011506677D+02 PE=-3.258492694454D+03 EE= 1.066208549833D+03
 Leave Link  502 at Wed Mar 16 19:43:45 2022, MaxMem=  5368709120 cpu:             815.1 elap:             102.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   354
 NBasis=   354 NAE=    48 NBE=    48 NFC=     0 NFV=     0
 NROrb=    354 NOA=    48 NOB=    48 NVA=   306 NVB=   306

 **** Warning!!: The largest alpha MO coefficient is  0.43974863D+02

 Leave Link  801 at Wed Mar 16 19:43:45 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
 NEqPCM:  Using non-equilibrium solvation (IEInf=1, Eps=  78.3553, EpsInf=   1.7778)
 Inv3:  Mode=1 IEnd=     8639427.
 Iteration    1 A*A^-1 deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A*A^-1 deviation from orthogonality  is 2.25D-15 for   1668    306.
 Iteration    1 A^-1*A deviation from unit magnitude is 8.44D-15 for    257.
 Iteration    1 A^-1*A deviation from orthogonality  is 1.66D-15 for   1692    410.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7293 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.45D-13 8.33D-09 XBig12= 1.00D+00 2.15D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.45D-13 8.33D-09 XBig12= 2.07D-01 4.75D-02.
     11 vectors produced by pass  2 Test12= 2.45D-13 8.33D-09 XBig12= 4.48D-02 2.47D-02.
     11 vectors produced by pass  3 Test12= 2.45D-13 8.33D-09 XBig12= 3.66D-03 8.84D-03.
     11 vectors produced by pass  4 Test12= 2.45D-13 8.33D-09 XBig12= 7.65D-04 3.04D-03.
     11 vectors produced by pass  5 Test12= 2.45D-13 8.33D-09 XBig12= 3.37D-05 7.07D-04.
     11 vectors produced by pass  6 Test12= 2.45D-13 8.33D-09 XBig12= 6.31D-07 8.74D-05.
     11 vectors produced by pass  7 Test12= 2.45D-13 8.33D-09 XBig12= 1.41D-08 9.93D-06.
     11 vectors produced by pass  8 Test12= 2.45D-13 8.33D-09 XBig12= 3.21D-10 1.73D-06.
      9 vectors produced by pass  9 Test12= 2.45D-13 8.33D-09 XBig12= 4.77D-12 2.29D-07.
      2 vectors produced by pass 10 Test12= 2.45D-13 8.33D-09 XBig12= 3.70D-14 2.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   110 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.121817D+03
      2  0.168036D+01  0.117067D+03
      3  0.305283D-03 -0.400086D+00  0.973668D+02
 Isotropic polarizability for W=    0.088559      112.08 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.316219D+02 -0.180671D+02 -0.889771D+01
      2  -0.261560D+02  0.198456D+02  0.567647D+01
      3  -0.546586D+01 -0.177854D+01  0.322124D+01
      4   0.285260D+00 -0.608596D+01  0.785813D+00
      5  -0.524051D+01  0.112329D+01  0.124344D+02
      6  -0.420105D+01  0.577849D+01  0.518444D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.359462D+00 -0.369059D+01 -0.340171D+01
      2  -0.274838D+01  0.140531D+01  0.734616D+01
      3   0.118159D+02 -0.134937D+02 -0.276617D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.337477D+00  0.102021D+00 -0.696298D+01
      2  -0.365720D+01  0.498687D+01  0.179002D+02
      3   0.183524D+02 -0.200701D+02 -0.532434D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.596065D+00  0.116535D+01 -0.679869D+00
      2   0.116535D+01  0.433601D-01  0.126566D+01
      3  -0.679869D+00  0.126566D+01 -0.448702D+00
 OR G Eigenvalues:    -2.4079     0.1485     1.2580  Iso=     0.3338
 Eigenvectors:
   (1)   0.584406  -0.573988   0.573592
   (2)   0.736626   0.078760  -0.671699
   (3)   0.340371   0.815067   0.468843
 w=    0.088559 a.u., Optical Rotation Beta=      0.3338 au.
 Molar Mass =    180.1572 grams/mole, [Alpha] ( 5145.0 A) =       93.95 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   62835 ScalPx= 4.14D+01
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTF NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 GePol: Maximum number of non-zero 1st derivatives   =     194
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.91D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 4.08D-14 2.78D-09 XBig12= 1.00D+00 3.77D-01.
     30 vectors produced by pass  1 Test12= 4.08D-14 2.78D-09 XBig12= 2.07D-01 3.47D-02.
     30 vectors produced by pass  2 Test12= 4.08D-14 2.78D-09 XBig12= 2.53D-03 6.95D-03.
     30 vectors produced by pass  3 Test12= 4.08D-14 2.78D-09 XBig12= 3.22D-05 4.63D-04.
     30 vectors produced by pass  4 Test12= 4.08D-14 2.78D-09 XBig12= 2.03D-07 4.41D-05.
     30 vectors produced by pass  5 Test12= 4.08D-14 2.78D-09 XBig12= 6.14D-10 2.47D-06.
     30 vectors produced by pass  6 Test12= 4.08D-14 2.78D-09 XBig12= 2.61D-12 1.20D-07.
     10 vectors produced by pass  7 Test12= 4.08D-14 2.78D-09 XBig12= 8.64D-15 9.18D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   220 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.33D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   62835 ScalPx= 1.33D+03
 G2PCM: DoFxE=F DoFxN=F DoGrad=F DoDP/DQ/DG/TGxP=TTTT NFrqRd=   1 IEInf=1 SqF1=F DoCFld=F IF1Alg=4.
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   62835 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.23D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121817D+03  0.168036D+01  0.305283D-03
      2   0.168036D+01  0.117067D+03 -0.400086D+00
      3   0.305283D-03 -0.400086D+00  0.973668D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.359462D+00 -0.369059D+01 -0.340171D+01
      2  -0.274838D+01  0.140531D+01  0.734616D+01
      3   0.118159D+02 -0.134937D+02 -0.276617D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.316219D+02 -0.180671D+02 -0.889771D+01
      2  -0.261560D+02  0.198456D+02  0.567647D+01
      3  -0.546586D+01 -0.177854D+01  0.322124D+01
      4   0.285260D+00 -0.608596D+01  0.785813D+00
      5  -0.524051D+01  0.112329D+01  0.124344D+02
      6  -0.420105D+01  0.577849D+01  0.518444D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.282400D+01 -0.271509D+01 -0.119797D+01 -0.330754D+01  0.324549D+01
      2  -0.271509D+01  0.403603D+01  0.316639D+00  0.324549D+01  0.292695D+00
      3  -0.119797D+01  0.316639D+00 -0.889889D+00  0.459706D+00 -0.116780D+01
                 6             7             8             9            10 
      1   0.459706D+00 -0.170022D+01  0.905742D+00  0.146644D+00  0.447542D+01
      2  -0.116780D+01  0.905742D+00 -0.200391D+01 -0.933616D+00  0.229032D+01
      3   0.501859D+00  0.146644D+00 -0.933616D+00  0.110358D+02  0.166898D+01
                11            12            13            14            15 
      1   0.229032D+01  0.166898D+01  0.223682D+01 -0.303458D+01 -0.221617D+00
      2  -0.189476D+01  0.738473D-01 -0.303458D+01 -0.182575D+01  0.652397D+00
      3   0.738473D-01 -0.152629D+01 -0.221617D+00  0.652397D+00  0.661719D+00
                16            17            18            19            20 
      1   0.318318D+01 -0.207987D+00  0.482927D+00  0.254321D+01  0.245394D+01
      2  -0.207987D+00  0.731497D+00  0.649391D+00  0.245394D+01 -0.340751D+01
      3   0.482927D+00  0.649391D+00 -0.110485D+02  0.100587D+01  0.213130D+00
                21            22            23            24            25 
      1   0.100587D+01  0.181775D+01 -0.430059D+01 -0.306308D-01  0.143431D+01
      2   0.213130D+00 -0.430059D+01 -0.262127D+01  0.140547D+01  0.552848D+00
      3   0.316452D+00 -0.306308D-01  0.140547D+01  0.140666D+01 -0.368250D+00
                26            27            28            29            30 
      1   0.552848D+00 -0.368250D+00 -0.230622D+01 -0.274241D+00 -0.107687D+01
      2   0.272306D+01  0.231457D+00 -0.274241D+00  0.372264D+01 -0.309654D+00
      3   0.231457D+00 -0.110831D+02 -0.107687D+01 -0.309654D+00 -0.391291D+00
                31            32            33            34            35 
      1   0.671749D+00  0.490487D+01  0.729027D+00 -0.181103D+01  0.169520D+00
      2   0.490487D+01  0.271618D+01 -0.116382D+01  0.169520D+00 -0.191013D+01
      3   0.729027D+00 -0.116382D+01 -0.957737D+00 -0.549791D+00  0.188827D+00
                36            37            38            39            40 
      1  -0.549791D+00  0.732731D+01 -0.149665D-01  0.862013D+00 -0.159122D+01
      2   0.188827D+00 -0.149665D-01  0.695074D-01 -0.832783D+00 -0.714373D+00
      3   0.114961D+02  0.862013D+00 -0.832783D+00 -0.289264D+00 -0.489661D+00
                41            42            43            44            45 
      1  -0.714373D+00 -0.489661D+00  0.363831D+01  0.779619D+00  0.640733D+00
      2  -0.510398D+01  0.845380D+00  0.779619D+00  0.245351D+01 -0.819285D+00
      3   0.845380D+00  0.805618D+00  0.640733D+00 -0.819285D+00 -0.163059D+01
                46            47            48            49            50 
      1  -0.443057D+01 -0.372963D+01 -0.694454D+00 -0.178321D+01  0.236347D+01
      2  -0.372963D+01  0.795438D+00  0.106508D+01  0.236347D+01  0.154553D+01
      3  -0.694454D+00  0.106508D+01  0.234590D+00  0.144942D+00 -0.899212D-01
                51            52            53            54            55 
      1   0.144942D+00 -0.283011D+01  0.299071D-01  0.639060D-02  0.377859D+01
      2  -0.899212D-01  0.299071D-01 -0.177936D+01  0.546613D+00  0.219353D+01
      3  -0.258893D+01  0.639060D-02  0.546613D+00  0.107968D+02  0.204527D+01
                56            57            58            59            60 
      1   0.219353D+01  0.204527D+01  0.334849D+01 -0.329680D+01 -0.226029D+00
      2  -0.152880D+01 -0.116085D+00 -0.329680D+01  0.761318D+01  0.133829D+01
      3  -0.116085D+00  0.139804D+01 -0.226029D+00  0.133829D+01 -0.195003D+00
                61            62            63            64            65 
      1   0.400794D+01 -0.140587D+01 -0.771231D+00  0.519112D+00  0.404358D+00
      2  -0.140587D+01  0.283107D+01  0.178141D+01  0.404358D+00 -0.742680D+00
      3  -0.771231D+00  0.178141D+01  0.336554D+00 -0.107338D+01  0.579689D-01
                66            67            68            69            70 
      1  -0.107338D+01  0.608705D+00 -0.606604D+00  0.100340D+00 -0.224945D+01
      2   0.579689D-01 -0.606604D+00  0.806453D-01 -0.118072D+01  0.138531D+00
      3  -0.108297D-01  0.100340D+00 -0.118072D+01  0.486146D+00 -0.534716D+00
                71            72            73            74            75 
      1   0.138531D+00 -0.534716D+00 -0.867680D+01  0.244287D+00 -0.161936D+01
      2  -0.212440D+01  0.911789D+00  0.244287D+00  0.117926D+01 -0.527776D+00
      3   0.911789D+00 -0.956241D+01 -0.161936D+01 -0.527776D+00  0.104926D+01
                76            77            78            79            80 
      1   0.343471D+01  0.114502D+01 -0.245765D+00 -0.421052D+01 -0.124596D+01
      2   0.114502D+01  0.442665D+01 -0.162746D+01 -0.124596D+01 -0.239037D+01
      3  -0.245765D+00 -0.162746D+01  0.123310D+01 -0.179956D+01 -0.558896D-01
                81            82            83            84            85 
      1  -0.179956D+01 -0.879153D+00 -0.386475D+00  0.116244D+01 -0.442672D+00
      2  -0.558896D-01 -0.386475D+00  0.474219D+00  0.331462D-01  0.463511D+00
      3  -0.421679D+00  0.116244D+01  0.331462D-01 -0.108590D+00  0.423863D-01
                86            87            88            89            90 
      1   0.463511D+00  0.423863D-01  0.210495D+01  0.196387D+00 -0.764126D+00
      2   0.110706D+00  0.123844D+01  0.196387D+00  0.212698D+01 -0.592734D+00
      3   0.123844D+01 -0.558610D+00 -0.764126D+00 -0.592734D+00  0.957164D+01
                91            92            93            94            95 
      1  -0.174939D+00 -0.505214D+00  0.111572D+01 -0.320240D+00  0.706303D+00
      2  -0.505214D+00  0.650399D+00  0.593756D-01  0.706303D+00  0.544614D+00
      3   0.111572D+01  0.593756D-01  0.137531D+00  0.948960D-01  0.118530D+01
                96            97            98            99           100 
      1   0.948960D-01  0.217750D+01 -0.912797D-01  0.411969D+00  0.476734D+01
      2   0.118530D+01 -0.912797D-01  0.217622D+01  0.553699D+00  0.811667D+00
      3   0.708721D-01  0.411969D+00  0.553699D+00  0.982508D+01 -0.119501D+01
               101           102           103           104           105 
      1   0.811667D+00 -0.119501D+01 -0.432381D+00  0.488807D+01  0.183182D+00
      2   0.661419D+01  0.256980D-01  0.488807D+01  0.325616D+01 -0.116310D+01
      3   0.256980D-01  0.497651D+00  0.183182D+00 -0.116310D+01 -0.137534D+01
               106           107           108           109           110 
      1  -0.153968D+01 -0.347001D+00  0.104144D+01  0.247779D+01  0.329266D+00
      2  -0.347001D+00 -0.325088D+01  0.146796D+01  0.329266D+00 -0.319240D+01
      3   0.104144D+01  0.146796D+01 -0.432362D-01  0.199109D+01  0.444818D+00
               111           112           113           114           115 
      1   0.199109D+01  0.812906D+00 -0.539577D+01  0.858634D-01  0.289704D+01
      2   0.444818D+00 -0.539577D+01 -0.363974D+01  0.163340D+01 -0.175833D+00
      3   0.138600D+01  0.858634D-01  0.163340D+01 -0.829073D+00 -0.107142D+01
               116           117           118           119           120 
      1  -0.175833D+00 -0.107142D+01  0.116646D+01  0.271277D+00 -0.124237D+01
      2   0.200468D+01 -0.165007D+01  0.271277D+00 -0.436996D+00  0.693734D-01
      3  -0.165007D+01 -0.972335D+01 -0.124237D+01  0.693734D-01  0.754978D+00
               121           122           123           124           125 
      1   0.187572D+00 -0.508805D+00 -0.339696D+00 -0.255985D+01 -0.278599D+00
      2  -0.508805D+00 -0.156945D-01 -0.120270D+01 -0.278599D+00 -0.200279D+01
      3  -0.339696D+00 -0.120270D+01  0.167920D+00  0.130264D+01  0.269033D+00
               126           127           128           129           130 
      1   0.130264D+01 -0.108814D+01 -0.169719D+01  0.235785D+00 -0.184806D+01
      2   0.269033D+00 -0.169719D+01 -0.777201D+00 -0.246966D+00 -0.150708D+01
      3  -0.977737D+01  0.235785D+00 -0.246966D+00  0.729328D+00 -0.291851D+00
               131           132           133           134           135 
      1  -0.150708D+01 -0.291851D+00 -0.176808D+00 -0.330491D+00  0.480086D+00
      2  -0.978566D+01 -0.372430D+00 -0.330491D+00 -0.209286D+01  0.652872D+00
      3  -0.372430D+00  0.130666D+01  0.480086D+00  0.652872D+00 -0.704142D+01
               136           137           138           139           140 
      1   0.314919D+00  0.166497D+00 -0.129445D+01  0.146311D+00 -0.501470D+00
      2   0.166497D+00 -0.267135D+00 -0.211850D+00 -0.501470D+00 -0.109763D+01
      3  -0.129445D+01 -0.211850D+00 -0.560603D-01  0.221744D-01 -0.116924D+01
               141           142           143           144           145 
      1   0.221744D-01 -0.217321D+01 -0.539439D+00 -0.469172D+00 -0.970900D+01
      2  -0.116924D+01 -0.539439D+00 -0.219594D+01 -0.180921D+01  0.200174D+01
      3  -0.401157D+00 -0.469172D+00 -0.180921D+01 -0.964678D+01 -0.895684D+00
               146           147           148           149           150 
      1   0.200174D+01 -0.895684D+00  0.308558D+00 -0.659031D+00 -0.527624D-01
      2  -0.245052D+01 -0.723274D-01 -0.659031D+00  0.267648D+00 -0.222246D+00
      3  -0.723274D-01 -0.176909D+01 -0.527624D-01 -0.222246D+00  0.317638D+00
               151           152           153           154           155 
      1  -0.242782D+01  0.419848D+00 -0.997164D+00 -0.351017D+01 -0.242667D+01
      2   0.419848D+00 -0.728101D+00  0.284230D+00 -0.242667D+01 -0.291555D+01
      3  -0.997164D+00  0.284230D+00 -0.261687D+00  0.290017D+00  0.240505D+00
               156           157           158           159           160 
      1   0.290017D+00 -0.487853D+01 -0.349586D+01  0.214588D+00  0.141009D+01
      2   0.240505D+00 -0.349586D+01 -0.578197D+01  0.734782D+00  0.955193D+00
      3  -0.106423D+01  0.214588D+00  0.734782D+00 -0.135909D+01 -0.715109D+00
               161           162           163           164           165 
      1   0.955193D+00 -0.715109D+00 -0.245802D+01  0.150512D+01  0.342860D+00
      2   0.155252D+01 -0.688034D+00  0.150512D+01 -0.446680D+01 -0.655521D-01
      3  -0.688034D+00  0.224084D+00  0.342860D+00 -0.655521D-01 -0.606361D+00
               166           167           168           169           170 
      1   0.227787D+01 -0.168603D+01 -0.197622D+00  0.524087D+00 -0.279605D+00
      2  -0.168603D+01  0.767770D+01  0.206646D+00 -0.279605D+00  0.103474D+01
      3  -0.197622D+00  0.206646D+00  0.150613D+01 -0.178195D+00  0.705011D+00
               171           172           173           174           175 
      1  -0.178195D+00  0.871831D+01 -0.269964D+01 -0.150893D+01 -0.109423D+01
      2   0.705011D+00 -0.269964D+01  0.405246D+01 -0.145101D+00  0.426776D+01
      3  -0.696803D-01 -0.150893D+01 -0.145101D+00  0.277774D+00 -0.156687D-01
               176           177           178           179           180 
      1   0.426776D+01 -0.156687D-01 -0.282190D+01  0.776703D+00  0.205077D+01
      2   0.213247D+01 -0.951562D+00  0.776703D+00 -0.191266D+01 -0.756563D+00
      3  -0.951562D+00  0.117086D+01  0.205077D+01 -0.756563D+00 -0.645383D+00
               181           182           183           184           185 
      1  -0.452071D+00  0.313340D+00  0.119159D+01 -0.345644D+00  0.846448D+00
      2   0.313340D+00  0.318522D+00 -0.157182D+00  0.846448D+00  0.518981D+00
      3   0.119159D+01 -0.157182D+00 -0.371691D+00 -0.437908D-01  0.108300D+01
               186           187           188           189           190 
      1  -0.437908D-01  0.261157D+01 -0.233176D+00  0.149737D+01  0.297438D+01
      2   0.108300D+01 -0.233176D+00  0.182691D+01  0.130361D+01  0.244601D+01
      3  -0.582516D-01  0.149737D+01  0.130361D+01  0.101734D+02 -0.873956D+00
               191           192           193           194           195 
      1   0.244601D+01 -0.873956D+00  0.371325D+01  0.318473D+01 -0.279200D+00
      2   0.263656D+01 -0.265768D+00  0.318473D+01  0.679330D+01 -0.103101D+01
      3  -0.265768D+00  0.702703D+00 -0.279200D+00 -0.103101D+01  0.115592D+01
               196           197           198           199           200 
      1  -0.188494D+01 -0.487820D+00  0.974017D+00 -0.399882D+00 -0.452276D+00
      2  -0.487820D+00 -0.191887D+01  0.119619D+01 -0.452276D+00 -0.454777D+00
      3   0.974017D+00  0.119619D+01 -0.151641D+00  0.516276D+00  0.228791D+00
               201           202           203           204           205 
      1   0.516276D+00 -0.508551D+00 -0.195127D+00  0.962242D-01  0.173983D+01
      2   0.228791D+00 -0.195127D+00 -0.121793D+01  0.705212D+00  0.590365D+00
      3  -0.367586D+00  0.962242D-01  0.705212D+00 -0.795425D+00 -0.888489D+00
               206           207           208           209           210 
      1   0.590365D+00 -0.888489D+00 -0.215388D+01 -0.529966D+00  0.244519D+00
      2   0.377460D+01 -0.285309D+01 -0.529966D+00 -0.201409D+01  0.122675D+00
      3  -0.285309D+01  0.754372D+01  0.244519D+00  0.122675D+00 -0.331342D-01
               211           212           213           214           215 
      1  -0.301242D+01 -0.113562D+00  0.260965D+00  0.656710D+00  0.108391D+00
      2  -0.113562D+00 -0.688683D+01  0.313695D+00  0.108391D+00  0.107450D+01
      3   0.260965D+00  0.313695D+00 -0.167249D+01  0.722407D-01 -0.583609D+00
               216 
      1   0.722407D-01
      2  -0.583609D+00
      3   0.103639D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.132747D+01  0.206461D+00 -0.149343D+01 -0.185032D+01  0.519941D+00
      2   0.156016D+01 -0.600242D+00  0.344389D+00 -0.367291D+00  0.228318D+01
      3  -0.340153D+01 -0.181993D+01 -0.104827D+01  0.307489D+01  0.208280D+01
                 6             7             8             9            10 
      1   0.200332D+00 -0.324971D+00  0.447919D+01 -0.839257D+01  0.825736D+00
      2   0.117822D+01 -0.293641D+01  0.746735D+00 -0.973392D+01 -0.235562D+01
      3  -0.183977D+00  0.183670D+00 -0.164370D+01 -0.836940D+00  0.670367D+00
                11            12            13            14            15 
      1  -0.883484D+00 -0.401662D-01  0.556444D+00 -0.141852D+01 -0.150262D+01
      2  -0.160949D+01  0.302755D+00 -0.210382D-01 -0.235479D+01 -0.227742D+01
      3  -0.566189D+01 -0.693906D+00 -0.288357D+00 -0.768217D+00  0.199886D+01
                16            17            18            19            20 
      1  -0.377554D+00  0.247806D+01 -0.505180D+01 -0.925091D+00 -0.429839D+00
      2  -0.419487D+01 -0.144679D+01  0.128006D+02 -0.115189D+01  0.481935D+00
      3  -0.186822D+01  0.145719D+01  0.712837D+00  0.132865D+01  0.663651D+00
                21            22            23            24            25 
      1   0.138680D+01 -0.386454D+00 -0.219405D+01  0.301038D+00  0.165089D+01
      2   0.157882D+01 -0.108970D+01  0.395934D+00 -0.653866D+00 -0.335638D+01
      3   0.130698D+01  0.627215D+01 -0.476538D+01 -0.139560D+01  0.142534D+01
                26            27            28            29            30 
      1   0.305575D+01  0.102829D+02  0.937249D+00 -0.222075D+00  0.189427D+01
      2  -0.419215D+00 -0.234455D+01 -0.234776D+01 -0.452380D+00  0.696650D-01
      3   0.375748D+00 -0.710913D+00 -0.583718D+01 -0.992116D+01 -0.700455D+00
                31            32            33            34            35 
      1  -0.103176D+01  0.161766D+01  0.221750D+01  0.181455D+01  0.294411D+01
      2  -0.100110D+01 -0.158405D+01 -0.245113D+01 -0.460945D+01  0.218526D+01
      3  -0.745184D+01 -0.258334D+01  0.224347D+01 -0.117662D+00  0.130414D+01
                36            37            38            39            40 
      1  -0.463144D+01  0.109328D+01  0.180657D+00 -0.341816D+01  0.879122D+00
      2   0.175431D+02  0.972536D+00  0.477705D+00  0.102457D+02  0.206974D+00
      3  -0.475040D+00 -0.972714D+01 -0.854280D+01 -0.944352D+00  0.129062D+02
                41            42            43            44            45 
      1   0.523780D+00 -0.739420D+01  0.269984D+01  0.516109D+01  0.375343D+00
      2   0.113323D+01  0.286484D+01 -0.648072D+01 -0.272408D+01  0.105304D+01
      3   0.547109D+01 -0.794299D+00 -0.414873D+01 -0.262378D+01 -0.345876D+00
                46            47            48            49            50 
      1  -0.405861D+00  0.859237D-01  0.212013D+01 -0.351367D+00 -0.702603D+00
      2   0.135897D+01  0.845166D-01 -0.603386D+01 -0.765729D+00  0.129691D+01
      3   0.354464D+01  0.663671D+01  0.118096D+01  0.361693D+01  0.228296D+01
                51            52            53            54            55 
      1  -0.562654D+00 -0.160261D+01  0.322674D+01  0.138438D+02 -0.428528D+01
      2  -0.519906D+00 -0.373637D+01 -0.201283D+01 -0.107235D+02 -0.758025D+01
      3  -0.170633D+01  0.372865D+01 -0.144929D+01  0.376845D+00  0.150970D+02
                56            57            58            59            60 
      1   0.129238D-01  0.159233D+00  0.142371D+01 -0.220705D+01 -0.637612D+01
      2   0.209470D+01  0.167824D+01  0.441882D+00 -0.213196D+01 -0.263698D+01
      3  -0.247890D+01  0.340808D+01  0.827943D+01  0.933631D+01  0.122119D+01
                61            62            63            64            65 
      1   0.357359D+00  0.131535D+01 -0.284418D+01  0.797779D+00 -0.419346D-01
      2  -0.501152D+01 -0.183114D+01 -0.296445D+01  0.160468D+01 -0.181407D+00
      3   0.686894D+01  0.403358D+01  0.180888D+01  0.836719D+00 -0.141932D+01
                66            67            68            69            70 
      1  -0.480166D+00 -0.569827D-01  0.142367D+01 -0.101271D+01  0.125168D-01
      2   0.927108D+00 -0.681761D-01  0.921576D+00  0.512222D-01 -0.424126D+01
      3  -0.915043D+00  0.111535D+01 -0.411750D+00 -0.116994D+01 -0.232937D+01
                71            72            73            74            75 
      1   0.394053D+01  0.872810D+01 -0.215798D+01 -0.909647D+00 -0.499968D-01
      2  -0.572797D+00  0.101788D+02  0.498174D+01  0.313309D+01  0.647394D+01
      3  -0.219593D+01  0.691882D+00  0.888000D+01 -0.353208D+01 -0.394993D+00
                76            77            78            79            80 
      1  -0.299024D+01 -0.278911D+01 -0.130623D+01  0.638630D+00  0.505418D+01
      2   0.237907D+01  0.557575D+01 -0.280773D+01 -0.883058D+00 -0.107516D+01
      3   0.617883D+01  0.171580D+02 -0.373569D+01  0.431285D+00 -0.789575D+01
                81            82            83            84            85 
      1  -0.111071D+01  0.379198D+00  0.374030D+00  0.442495D+00  0.572194D+00
      2   0.404021D+01 -0.187297D+01  0.264443D-01  0.614244D+00  0.344055D+00
      3   0.130068D+01 -0.148156D-01 -0.293074D+00 -0.337307D+00  0.181605D+01
                86            87            88            89            90 
      1   0.695400D+00 -0.170502D+01 -0.441638D-01  0.449695D+01  0.367479D+01
      2  -0.188940D+01  0.412585D+00 -0.358259D+01  0.687306D+00 -0.138823D+02
      3   0.265395D+00  0.151497D+01 -0.739447D+00  0.333535D+01 -0.104672D-01
                91            92            93            94            95 
      1  -0.172103D+01  0.135201D+00  0.104404D+00 -0.117637D+00 -0.144591D+01
      2   0.380872D+00  0.623896D+00  0.766069D+00  0.561581D+00  0.263118D+00
      3   0.870399D-01 -0.179034D+01  0.133902D+01  0.576991D+00  0.420999D+00
                96            97            98            99           100 
      1  -0.635335D+00 -0.578433D+00  0.397070D+01 -0.112253D+02  0.284926D+01
      2  -0.316640D+00 -0.514821D+01  0.226793D+00  0.228659D+01  0.553802D-01
      3  -0.222750D+00  0.279700D+01 -0.102098D+01  0.178652D+00  0.151637D+02
               101           102           103           104           105 
      1  -0.120588D+01 -0.399743D+01 -0.928255D+00  0.522445D+01 -0.467320D+01
      2  -0.153594D+01  0.397802D+01  0.633327D+00  0.410927D+00  0.173547D+01
      3  -0.112898D+02 -0.223426D+01 -0.605500D+00  0.939983D+01  0.160093D+01
               106           107           108           109           110 
      1  -0.272498D+01  0.217752D+01  0.271323D+01 -0.195380D+01 -0.151532D+01
      2  -0.299331D+01  0.129674D+01 -0.649920D+00  0.445040D+01  0.139328D+01
      3  -0.513202D+01  0.170955D+01  0.120861D+01  0.361700D+01  0.786742D+01
               111           112           113           114           115 
      1  -0.272271D+01 -0.295924D+01 -0.383717D+01  0.987956D+00  0.199369D+00
      2   0.181089D+01  0.214882D+01  0.598913D+01  0.366046D+00 -0.742414D+01
      3  -0.591317D+00  0.173326D+02  0.611405D+01 -0.436313D+01  0.762392D+00
               116           117           118           119           120 
      1   0.239916D+01  0.575618D+01  0.368177D+00  0.507004D+00  0.348588D+00
      2  -0.420253D+01 -0.235262D+02 -0.139187D+01  0.233009D+00  0.202641D+01
      3  -0.577913D+01  0.415588D+01 -0.121371D+00  0.303096D+00 -0.485759D+00
               121           122           123           124           125 
      1   0.184561D+00  0.977098D-01 -0.749265D+00 -0.896858D-01  0.451165D+01
      2  -0.526785D+00 -0.191217D+01  0.254999D+00 -0.390024D+01  0.166124D-01
      3   0.278607D+01 -0.772865D+00  0.179795D+01 -0.276158D+00  0.342334D+01
               126           127           128           129           130 
      1   0.288412D+01  0.205364D+00 -0.855874D+00  0.113009D+01 -0.133466D+00
      2  -0.134199D+02 -0.359529D+00 -0.129364D+01  0.466522D+01  0.787207D+00
      3  -0.115966D+01  0.178482D+01 -0.236201D+01  0.422990D+00  0.109554D+02
               131           132           133           134           135 
      1  -0.667671D-01 -0.581380D+01  0.275501D+01  0.607848D+01 -0.198987D+02
      2   0.598888D-02  0.508229D+00 -0.128837D+01 -0.721832D+00  0.600211D+01
      3  -0.589513D+01  0.457770D+00 -0.918252D-01  0.871798D-01 -0.949560D+00
               136           137           138           139           140 
      1  -0.230269D+01 -0.257336D+00 -0.315172D+00  0.378834D+00 -0.134731D+01
      2   0.953986D+00  0.113574D+00  0.868470D+00  0.697891D+00  0.765247D+00
      3  -0.151063D+00 -0.191981D+01  0.219293D+01  0.209453D+00  0.338810D+00
               141           142           143           144           145 
      1  -0.104652D+01 -0.103056D+00  0.279469D+01 -0.133873D+02  0.274786D+01
      2   0.535235D-01 -0.451530D+01  0.104131D+01  0.797624D+01  0.609958D+01
      3  -0.727013D+00  0.371700D+01 -0.588690D+00  0.429856D+00 -0.190472D+02
               146           147           148           149           150 
      1  -0.757763D-01  0.333464D+01  0.203523D+00  0.676226D+00 -0.254503D+00
      2  -0.689630D+00  0.536972D+01  0.669408D-01  0.492851D+00 -0.400520D+00
      3  -0.351081D+01 -0.261906D+01 -0.123916D+01 -0.242796D+01 -0.792573D+00
               151           152           153           154           155 
      1   0.207023D+01  0.237493D+00  0.631063D+00  0.121472D+01  0.145665D+01
      2   0.267939D+01 -0.755090D+00  0.120598D+01 -0.191360D+01 -0.169434D+01
      3  -0.525137D+01 -0.139342D+01 -0.158153D+01 -0.521253D+01 -0.737400D+01
               156           157           158           159           160 
      1  -0.137652D+01  0.217212D+01  0.270227D+01 -0.248000D+01 -0.122738D+01
      2   0.311879D+01 -0.236622D+01 -0.411315D+01  0.461417D+01  0.150454D+01
      3   0.584400D+00 -0.525961D+01 -0.182904D+02  0.250592D+01  0.142300D+01
               161           162           163           164           165 
      1  -0.544448D+00  0.715620D+00 -0.179568D+01  0.166777D+01  0.259466D+01
      2   0.255982D+01 -0.968359D+00 -0.259114D+00  0.646497D+00 -0.188476D+00
      3   0.498206D+01 -0.156843D+01 -0.120697D+02  0.823504D+01  0.147833D+01
               166           167           168           169           170 
      1   0.147908D+01 -0.251573D+01 -0.458874D+01  0.828799D+00 -0.137827D+01
      2   0.443066D+00 -0.930008D+00 -0.706081D-01 -0.916825D+00  0.722299D-01
      3   0.996713D+01 -0.118466D+02 -0.871045D+00  0.257685D+01 -0.165459D+01
               171           172           173           174           175 
      1  -0.187227D+00 -0.506777D+00 -0.659785D+00  0.385030D+01  0.330354D+00
      2  -0.219467D+00 -0.495500D+01  0.970125D+00  0.792049D+01 -0.140043D+01
      3  -0.102313D+01  0.177631D+01 -0.212547D+02  0.151885D+00 -0.119734D+02
               176           177           178           179           180 
      1  -0.265628D+01 -0.400665D+01 -0.923921D-01  0.484606D+01 -0.220141D+01
      2  -0.330062D+01 -0.253995D+00  0.240675D+01 -0.227881D+01 -0.348899D+01
      3  -0.101307D+02  0.351540D+01  0.419576D+00  0.727325D+01  0.197540D+01
               181           182           183           184           185 
      1  -0.312599D+00  0.341721D-01 -0.794075D-02  0.451272D+00 -0.191964D+00
      2   0.416496D+01 -0.861611D+00 -0.351955D+00 -0.251416D+00  0.273822D+01
      3  -0.136784D+01 -0.140622D+01  0.863656D+00 -0.115253D+01 -0.932944D+00
               186           187           188           189           190 
      1  -0.194055D+00 -0.110115D+01  0.389681D+01 -0.445877D+01  0.161897D+01
      2  -0.160843D+00 -0.148358D+01  0.398684D+01  0.265375D+02 -0.282963D+01
      3  -0.268358D+01  0.188501D+01 -0.501336D+01 -0.324502D+01 -0.463356D+01
               191           192           193           194           195 
      1   0.926666D+00 -0.145721D+01  0.131135D+01  0.266570D+01 -0.303076D+01
      2  -0.127507D+01  0.327561D+01 -0.136326D+01 -0.398971D+01  0.408982D+01
      3  -0.719345D+01  0.312585D+00 -0.401385D+01 -0.190936D+02  0.293384D+01
               196           197           198           199           200 
      1  -0.940993D+00 -0.196382D+00  0.547656D+00  0.148603D+01  0.557117D+00
      2   0.195170D+01  0.352475D+01 -0.907227D+00 -0.726388D+00 -0.555579D+00
      3  -0.246807D+00  0.559580D+01 -0.288371D+01  0.546816D+00  0.326051D+00
               201           202           203           204           205 
      1  -0.120790D+01  0.952936D-01  0.271605D+01 -0.200989D+01 -0.296429D+01
      2   0.204909D+00 -0.605467D+00 -0.837133D+00  0.910329D+00 -0.172535D+01
      3  -0.125398D+01  0.100060D+01 -0.481203D+00  0.420694D+00 -0.419670D+01
               206           207           208           209           210 
      1  -0.588357D+01  0.227296D+02  0.515684D+00  0.912385D+00 -0.798808D+00
      2   0.260571D+01 -0.689028D+01  0.116146D+01  0.270650D+00 -0.981726D+00
      3   0.178248D+01  0.978974D-01  0.741339D+01  0.920513D+01 -0.822784D+00
               211           212           213           214           215 
      1   0.766746D+00  0.270955D+01 -0.304803D+01 -0.180296D-01 -0.528614D+00
      2   0.111580D+01  0.770914D+00 -0.448982D+01 -0.102516D+01 -0.174847D+01
      3   0.680686D+01  0.263685D+02 -0.156337D+01 -0.182041D+01 -0.410104D+01
               216 
      1   0.306685D+00
      2   0.930443D-01
      3   0.185285D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.633007D+01 -0.264297D+01  0.841094D-01  0.680218D+01 -0.272020D+00
      2  -0.628632D+01  0.127043D+02 -0.184855D+01  0.167175D+01 -0.760037D+01
      3  -0.437481D-01 -0.100613D+02  0.176444D+01 -0.847394D+01  0.787239D+01
      4   0.847086D+01 -0.154707D+02 -0.166306D+01 -0.189130D+02  0.108226D+02
      5   0.443866D+01 -0.217274D+01 -0.376159D+01 -0.460252D+01  0.138853D+01
      6  -0.123643D+01  0.370801D+01  0.448411D+01  0.358708D+01 -0.418853D+01
                 6             7             8             9            10 
      1   0.780539D+00  0.430328D+01  0.617170D+00  0.105356D+02 -0.253995D+02
      2   0.424531D+00  0.100732D+01 -0.742434D+01  0.762861D+01  0.127277D+02
      3  -0.120507D+01 -0.531060D+01  0.680717D+01 -0.181642D+02  0.126718D+02
      4   0.250986D+01 -0.499696D+01  0.792064D+01  0.260630D+01 -0.839055D+01
      5   0.417590D+01 -0.243061D+00  0.288586D+01 -0.237665D+02 -0.856364D+01
      6  -0.672185D+01  0.181198D+01 -0.220207D+01  0.217476D+02 -0.125146D+01
                11            12            13            14            15 
      1  -0.782860D+01 -0.212978D+01 -0.119219D+02  0.883202D+01  0.144377D+01
      2   0.395020D+01  0.480903D+01  0.767682D+01 -0.327372D+01 -0.652950D+00
      3   0.387839D+01 -0.267925D+01  0.424512D+01 -0.555830D+01 -0.790815D+00
      4  -0.537653D+01 -0.105197D+01  0.735244D+01  0.293691D+01 -0.869905D+00
      5  -0.181583D+01 -0.548378D+01 -0.278717D+00  0.119219D+00 -0.542397D+01
      6  -0.301686D+01 -0.772762D+00 -0.107760D+01 -0.899886D+00 -0.489912D+00
                16            17            18            19            20 
      1  -0.147921D+02 -0.211249D+01  0.922676D+01 -0.931860D+01  0.940493D+01
      2   0.714857D+01 -0.411138D+00  0.866201D+01  0.708292D+01 -0.151864D+02
      3   0.764349D+01  0.252363D+01 -0.178888D+02  0.223568D+01  0.578144D+01
      4  -0.115333D+01 -0.146718D+01 -0.239865D+01  0.157412D+01 -0.376115D+01
      5  -0.238773D+01 -0.282785D+01  0.329916D+02  0.213484D+01  0.161834D+01
      6  -0.529223D+00 -0.964208D+00  0.126661D+02  0.808527D+00  0.186727D+01
                21            22            23            24            25 
      1  -0.743531D+00  0.546397D+01  0.633156D+01 -0.424095D+01 -0.846931D+00
      2  -0.121032D+01 -0.116769D+02 -0.145473D+02  0.495128D+00  0.428444D+01
      3   0.195385D+01  0.621293D+01  0.821574D+01  0.374582D+01 -0.343751D+01
      4   0.118527D+01 -0.822284D+01 -0.130981D+02 -0.515068D+00  0.417085D+01
      5  -0.206254D+01  0.236350D+01  0.140849D+01 -0.169836D+01  0.587810D-01
      6  -0.319962D+01 -0.346897D+00  0.564391D+01 -0.634799D+01 -0.167009D+01
                26            27            28            29            30 
      1  -0.377897D+01  0.938592D+01 -0.116088D+02 -0.125341D+01 -0.473812D+01
      2   0.100295D+02  0.112160D+02  0.434951D+01  0.744860D-01  0.173955D+01
      3  -0.625052D+01 -0.206019D+02  0.725925D+01  0.117892D+01  0.299857D+01
      4   0.405879D+01 -0.973305D+00 -0.833607D+01 -0.761634D+00 -0.221172D+01
      5  -0.469858D+00 -0.618534D+01 -0.543206D+01 -0.113879D+01 -0.538017D+01
      6   0.522517D+00 -0.264256D+02 -0.276755D+01  0.116871D-01 -0.379205D+01
                31            32            33            34            35 
      1  -0.547133D+00  0.191153D+02 -0.373707D+00 -0.426324D+01 -0.142010D+00
      2   0.145257D+01 -0.192324D+02 -0.334880D+01 -0.125266D+01 -0.224048D+01
      3  -0.905434D+00  0.117060D+00  0.372251D+01  0.551590D+01  0.238249D+01
      4  -0.614532D+01  0.696048D+00 -0.265645D+01  0.187808D+01 -0.148330D+01
      5   0.246935D+01 -0.189286D+01 -0.710618D+01 -0.362739D+01  0.720756D+00
      6  -0.340381D+00  0.113828D+01 -0.794733D+01 -0.181556D+01 -0.802480D+00
                36            37            38            39            40 
      1   0.958778D+01  0.215173D+02 -0.302223D+01 -0.885606D+00 -0.902470D-01
      2   0.102612D+02 -0.152729D+02  0.260996D+01 -0.112628D+01 -0.544508D+00
      3  -0.198489D+02 -0.624436D+01  0.412268D+00  0.201188D+01  0.634755D+00
      4   0.118980D+01 -0.818601D+01  0.145200D+02 -0.169804D+01  0.156391D+02
      5   0.345750D+02  0.220014D+01 -0.145903D+00  0.188825D+02 -0.200275D+01
      6   0.586742D+01 -0.664940D+00  0.280130D+01  0.814381D+01  0.378881D+00
                41            42            43            44            45 
      1  -0.151063D+02  0.318251D+01  0.653309D+01  0.446797D+01 -0.715265D+01
      2   0.212555D+02 -0.226455D-01 -0.636486D+01 -0.478503D+01 -0.552841D+01
      3  -0.614927D+01 -0.315986D+01 -0.168222D+00  0.317061D+00  0.126811D+02
      4  -0.131374D+01  0.152670D+01 -0.527908D+01  0.172991D+01 -0.283465D+01
      5   0.577814D+00  0.737626D+01  0.763207D+01 -0.328118D+00  0.112808D+01
      6  -0.342762D+01  0.131393D+02 -0.736888D+00  0.776189D+01  0.295246D+00
                46            47            48            49            50 
      1  -0.213192D+02  0.895439D+01  0.545946D+01 -0.318919D+01  0.869380D+01
      2   0.202457D+02 -0.105877D+02 -0.152718D+01 -0.251842D+01 -0.229649D+02
      3   0.107346D+01  0.163331D+01 -0.393228D+01  0.570761D+01  0.142711D+02
      4   0.491364D+01 -0.857041D+01  0.513497D+00 -0.143143D+02 -0.127972D+02
      5   0.306785D+00  0.764245D-01 -0.140109D+02  0.144981D+01  0.275376D+00
      6  -0.356608D+00 -0.305136D+01 -0.655677D+01  0.296399D+00  0.816232D+00
                51            52            53            54            55 
      1  -0.312482D+00  0.253101D+01 -0.123265D+01  0.124216D+02 -0.222856D+02
      2  -0.265593D+00  0.675273D+00  0.101019D+02  0.107338D+02  0.162535D+02
      3   0.578076D+00 -0.320628D+01 -0.886921D+01 -0.231554D+02  0.603212D+01
      4   0.683475D+00  0.479704D+01  0.382293D-01  0.965248D+00  0.635515D+01
      5  -0.899006D+00 -0.316241D+01 -0.168519D+01 -0.178634D+02 -0.102873D+02
      6  -0.604933D+01 -0.398248D+00 -0.370627D+01 -0.335986D+02  0.910445D+01
                56            57            58            59            60 
      1   0.943428D-01 -0.717612D+01 -0.571645D+01 -0.112245D+02 -0.433245D+01
      2  -0.604851D+01  0.577160D+01 -0.477269D+01  0.302965D+02  0.281385D+01
      3   0.595416D+01  0.140453D+01  0.104891D+02 -0.190721D+02  0.151860D+01
      4   0.190152D+02  0.687645D+01  0.285843D+02 -0.354015D+02 -0.556621D+01
      5   0.231201D+01  0.651843D+01  0.273225D+01 -0.559398D+01 -0.494886D+01
      6  -0.296129D+01 -0.803112D+00 -0.289232D+01  0.799338D+01  0.128875D+02
                61            62            63            64            65 
      1  -0.136389D+02 -0.246490D+01 -0.783388D+01 -0.422723D+00 -0.388613D+00
      2   0.534379D+01  0.827013D+01 -0.193560D+00 -0.254524D+01 -0.746117D+00
      3   0.829511D+01 -0.580523D+01  0.802744D+01  0.296796D+01  0.113473D+01
      4   0.169805D+02 -0.138341D+02 -0.696387D+01 -0.725240D+00  0.406306D+01
      5   0.850474D+01 -0.781114D+01 -0.635160D+01  0.297563D+01 -0.506420D+00
      6  -0.388022D+01  0.137542D+02  0.579550D+01 -0.244641D+01 -0.532698D+00
                66            67            68            69            70 
      1   0.295670D+01 -0.451027D+00 -0.297960D+01  0.234672D+01  0.404789D+01
      2  -0.166929D+01 -0.677291D+00  0.948570D+00 -0.277562D+01 -0.280486D+01
      3  -0.128740D+01  0.112832D+01  0.203103D+01  0.428898D+00 -0.124303D+01
      4  -0.250642D+01  0.396762D+01 -0.146812D+01  0.298588D+01 -0.454961D+01
      5   0.714790D+01  0.751050D-01  0.269645D+01 -0.565842D+00  0.601835D+01
      6   0.659558D+00  0.269029D+00 -0.348336D+01  0.779646D+01 -0.147757D+01
                71            72            73            74            75 
      1   0.359302D+01 -0.174479D+02  0.590364D+02 -0.240877D+01  0.660542D+01
      2  -0.327890D+01 -0.158517D+02 -0.372663D+02 -0.103355D+01 -0.676937D+01
      3  -0.314113D+00  0.332996D+02 -0.217701D+02  0.344232D+01  0.163949D+00
      4   0.506418D+01 -0.193272D+01  0.196282D+01  0.306624D+01  0.412748D+01
      5  -0.215906D+01  0.230273D+02  0.130323D+02  0.383934D+01  0.131406D+02
      6   0.664003D+01 -0.217770D+02  0.233946D+01  0.200114D+01  0.438281D+00
                76            77            78            79            80 
      1  -0.158578D+02 -0.879687D+01 -0.160349D+00  0.216936D+02  0.452377D+01
      2   0.547227D+01  0.198628D+01  0.170375D+01 -0.127250D+02  0.282941D+00
      3   0.103856D+02  0.681059D+01 -0.154340D+01 -0.896860D+01 -0.480671D+01
      4  -0.854403D+01 -0.263760D+02  0.823623D+01  0.981878D+01  0.138836D+02
      5   0.302846D+01  0.914584D+01 -0.398889D+01  0.174715D+02  0.457884D-01
      6   0.109581D+01  0.261002D+01  0.478519D+01  0.234020D+01  0.504811D+01
                81            82            83            84            85 
      1   0.387094D+01  0.322898D+01  0.157078D+01 -0.502749D+01  0.145442D+01
      2  -0.112835D+02 -0.472784D+01 -0.120362D+01  0.299682D+01 -0.987191D+00
      3   0.741252D+01  0.149887D+01 -0.367159D+00  0.203067D+01 -0.467228D+00
      4   0.228569D+00  0.139324D+01  0.111227D+01 -0.827173D+00  0.110717D+01
      5   0.824953D+01 -0.418418D+01 -0.204425D+00  0.671491D+01  0.963163D-01
      6   0.224474D+01 -0.835241D+00  0.328671D+00 -0.386553D+00 -0.704805D+00
                86            87            88            89            90 
      1  -0.499281D+01  0.179940D+01 -0.701381D+01  0.136786D+01 -0.164752D+02
      2   0.103934D+01 -0.119279D+01  0.546723D+01 -0.113605D+01 -0.167762D+02
      3   0.395346D+01 -0.606610D+00  0.154658D+01 -0.231814D+00  0.332514D+02
      4   0.993777D-01 -0.407309D+01 -0.254048D+01 -0.587090D+01  0.147701D+01
      5  -0.443442D+01  0.109667D+01  0.734028D+01  0.226622D+01 -0.320863D+02
      6  -0.206433D+01  0.859063D+01  0.638206D+00  0.596312D+01 -0.958428D+01
                91            92            93            94            95 
      1   0.176658D+01 -0.140160D+01  0.984811D+00 -0.203752D+01 -0.412807D+01
      2  -0.486718D+01  0.197727D+01 -0.329762D+00  0.230526D+01  0.167082D+01
      3   0.310061D+01 -0.575667D+00 -0.655049D+00 -0.267737D+00  0.245725D+01
      4  -0.315194D+00  0.190535D+01  0.247014D+01  0.234291D+01  0.145948D+01
      5   0.101553D+01  0.274588D+00  0.700653D+01 -0.141316D+00  0.749925D+00
      6   0.321094D+01 -0.513461D-01 -0.597268D-01  0.223170D+00  0.317813D+01
                96            97            98            99           100 
      1  -0.244200D+01  0.907618D+00 -0.511860D+01 -0.190990D+02  0.121067D+02
      2   0.409968D+01 -0.139148D+01  0.644277D+01 -0.172329D+02 -0.606750D+01
      3  -0.165768D+01  0.483863D+00 -0.132417D+01  0.363318D+02 -0.603923D+01
      4   0.107411D+01  0.402383D+01  0.174495D+01  0.584486D+00  0.208876D+02
      5  -0.298769D+00  0.542759D+01  0.353600D+00  0.635858D+01 -0.211595D+01
      6   0.709748D+01  0.120190D+01  0.648640D+01  0.259804D+02 -0.528099D+01
               101           102           103           104           105 
      1  -0.219300D+02 -0.176209D+00 -0.124150D+02 -0.736044D+01  0.631078D+01
      2   0.383266D+02  0.189517D+01  0.242946D+02  0.165134D+02 -0.444914D+01
      3  -0.163966D+02 -0.171896D+01 -0.118796D+02 -0.915297D+01 -0.186163D+01
      4   0.144507D+02 -0.441326D+01  0.149032D+02  0.286018D+02 -0.469789D+00
      5  -0.493902D+00  0.851597D+01 -0.961363D+00 -0.314387D+01  0.258274D+01
      6  -0.611643D+00  0.629869D+01  0.659079D+00 -0.851947D+01  0.107727D+02
               106           107           108           109           110 
      1  -0.109547D+01  0.108275D+02 -0.803065D+01  0.169915D+01  0.272508D+01
      2  -0.188434D+00 -0.165405D+02  0.677309D+00 -0.363381D+01 -0.163216D+01
      3   0.128391D+01  0.571301D+01  0.735334D+01  0.193466D+01 -0.109292D+01
      4  -0.743643D+01 -0.452723D+01  0.563496D+01  0.797259D+01 -0.211450D+02
      5   0.680158D+01  0.330403D+01 -0.979185D+00  0.139231D+02  0.225297D+01
      6   0.645321D+01  0.138835D+02 -0.565420D+01  0.330799D+01  0.293009D+01
               111           112           113           114           115 
      1   0.602234D+01  0.165484D+02 -0.247985D+02  0.333986D+01  0.180328D+02
      2  -0.620610D+01 -0.123345D+02  0.532947D+01  0.419952D+01 -0.563779D+01
      3   0.183757D+00 -0.421388D+01  0.194691D+02 -0.753938D+01 -0.123950D+02
      4   0.372498D+01 -0.363889D+02 -0.198603D+02  0.824650D+01 -0.253798D+01
      5  -0.103801D+01 -0.957584D+00  0.928849D+01  0.215853D+01 -0.632691D+01
      6   0.581519D+01  0.889207D+00  0.127484D+01 -0.562122D+01 -0.778041D+00
               116           117           118           119           120 
      1   0.908566D+00  0.101563D+02  0.405687D+01  0.109108D+01 -0.317045D+01
      2   0.160703D+01  0.128808D+02 -0.534888D+01 -0.872215D+00  0.211721D+01
      3  -0.251559D+01 -0.230372D+02  0.129201D+01 -0.218861D+00  0.105325D+01
      4   0.120669D+02 -0.111582D+02  0.805247D+00  0.153887D+01  0.505243D+00
      5  -0.883125D+01 -0.463201D+02 -0.362686D+01  0.297280D+00  0.872012D+01
      6  -0.178130D+01 -0.360455D+01 -0.279100D+00 -0.459469D-01 -0.392506D+00
               121           122           123           124           125 
      1   0.121801D+01 -0.534292D+01 -0.943684D+00 -0.628082D+01  0.115676D+01
      2  -0.106859D+01  0.186502D+01  0.211397D+00  0.753932D+01  0.812844D-01
      3  -0.149415D+00  0.347789D+01  0.732287D+00 -0.125850D+01 -0.123805D+01
      4   0.202820D+01  0.365840D+00 -0.242308D+01 -0.614308D+00 -0.361583D+01
      5  -0.798220D+00 -0.358469D+01  0.119499D+01  0.884749D+01  0.936921D+00
      6  -0.583284D+00 -0.391486D+00  0.807004D+01  0.916169D+00  0.543227D+01
               126           127           128           129           130 
      1  -0.175731D+02  0.780225D+01 -0.155325D+01 -0.598472D+00  0.477319D+00
      2  -0.178460D+02  0.162992D+01  0.690647D+01  0.877205D+00  0.634179D+01
      3   0.354191D+02 -0.943217D+01 -0.535322D+01 -0.278733D+00 -0.681910D+01
      4   0.331998D+00  0.705286D+01  0.173936D+02 -0.100187D+00  0.210932D+02
      5  -0.279181D+02 -0.775027D+00 -0.696937D+00  0.603430D+01 -0.138983D+01
      6  -0.336158D+01 -0.932056D+00  0.497905D+00 -0.124536D+01  0.838543D+00
               131           132           133           134           135 
      1  -0.353796D+02  0.250893D+00 -0.176919D+01 -0.601135D+01  0.257027D+01
      2   0.663029D+02  0.169877D+01  0.109351D+01  0.480627D+01  0.343901D-01
      3  -0.309233D+02 -0.194966D+01  0.675681D+00  0.120508D+01 -0.260466D+01
      4   0.240752D+02  0.107886D+01  0.708504D+00  0.314345D+01 -0.312694D+01
      5   0.723526D+00  0.921024D+00  0.369272D+01 -0.128378D+01  0.120241D+02
      6  -0.117236D+01  0.100642D+02 -0.221469D+01  0.225852D+01  0.334902D+02
               136           137           138           139           140 
      1   0.676758D+00 -0.804049D+00  0.141090D+01 -0.124877D+01 -0.569204D+01
      2  -0.368561D+01  0.850734D+00  0.729966D-01  0.165979D+01  0.409145D+01
      3   0.300885D+01 -0.466857D-01 -0.148390D+01 -0.411022D+00  0.160059D+01
      4  -0.573458D+00  0.330167D+01  0.364848D+01  0.263411D+01  0.197574D+01
      5   0.153953D+01  0.896736D+00  0.779842D+01  0.141484D+00  0.131418D+01
      6   0.446651D+01  0.164834D+00  0.672998D+00  0.414276D-02  0.444169D+01
               141           142           143           144           145 
      1  -0.254755D+01  0.770761D+00 -0.779774D+01 -0.211970D+02  0.462602D+02
      2   0.403650D+01 -0.765255D+00  0.559721D+01 -0.130019D+02 -0.206962D+02
      3  -0.148895D+01 -0.550585D-02  0.220053D+01  0.341988D+02 -0.255640D+02
      4   0.103733D+01  0.519047D+01  0.410437D+01  0.121996D+01 -0.361174D+02
      5  -0.160528D+00  0.597644D+01  0.249483D+01  0.130206D+02  0.378878D+01
      6   0.795229D+01  0.171392D+01  0.110874D+02  0.316105D+02 -0.489124D+01
               146           147           148           149           150 
      1  -0.401676D+01  0.606566D+01  0.552277D+00  0.195467D+01  0.608099D+00
      2  -0.395602D+01 -0.252774D+01 -0.217591D+01  0.785269D+00 -0.112534D+01
      3   0.797278D+01 -0.353791D+01  0.162364D+01 -0.273994D+01  0.517243D+00
      4   0.150750D+02 -0.324242D+01  0.470848D+01 -0.188451D+01  0.950961D+00
      5  -0.101042D+00  0.739120D+01  0.434316D+00  0.108778D+01 -0.129089D+01
      6  -0.151966D+00 -0.609168D+01 -0.162418D+00 -0.396556D+00  0.425960D+00
               151           152           153           154           155 
      1   0.108690D+02 -0.554759D+00  0.439135D+01  0.194392D+02  0.117493D+02
      2  -0.546804D+01 -0.125609D+01 -0.252365D+01 -0.657990D+01 -0.208432D+01
      3  -0.540101D+01  0.181085D+01 -0.186770D+01 -0.128593D+02 -0.966499D+01
      4  -0.883780D+01  0.357483D+01 -0.384894D+01  0.170634D+02  0.193495D+02
      5   0.644355D+01 -0.127710D+01  0.223179D+01 -0.170790D+01 -0.173082D+01
      6  -0.416851D+01  0.164496D+01 -0.805170D+00 -0.467189D+00  0.552064D+00
               156           157           158           159           160 
      1  -0.248493D+01  0.244821D+02  0.130797D+02 -0.117211D+01 -0.667203D+01
      2   0.295121D+00 -0.774211D+01  0.368608D+01 -0.136373D+01  0.256751D+01
      3   0.218981D+01 -0.167400D+02 -0.167658D+02  0.253584D+01  0.410452D+01
      4  -0.217777D+01  0.273045D+02  0.353357D+02 -0.467235D+01 -0.695543D+01
      5   0.541556D+01 -0.211070D+01 -0.488060D+01  0.749515D+01  0.520585D+01
      6   0.192443D+01  0.127616D-01 -0.542303D+00  0.260521D+01  0.191015D+01
               161           162           163           164           165 
      1  -0.374639D+01  0.269701D+01 -0.595154D+01  0.174423D+02  0.442299D+00
      2  -0.572619D-01 -0.780250D+00  0.100163D+02 -0.279278D+02 -0.113046D+01
      3   0.380365D+01 -0.191676D+01 -0.406472D+01  0.104855D+02  0.688158D+00
      4  -0.908346D+01  0.494046D+01 -0.100531D+02  0.612127D+01  0.141167D+01
      5   0.488326D+01 -0.159937D+01  0.406127D+00 -0.953198D+00 -0.123804D+01
      6   0.268770D+01 -0.136341D+01  0.170814D+01 -0.708806D+00 -0.345055D+01
               166           167           168           169           170 
      1   0.883887D+01 -0.282748D+02 -0.807867D+00  0.110787D+01 -0.427955D+01
      2  -0.131959D+02  0.477336D+02  0.235545D+01 -0.185142D+01  0.639167D+01
      3   0.435706D+01 -0.194588D+02 -0.154758D+01  0.743552D+00 -0.211212D+01
      4   0.984229D+01 -0.619719D+01 -0.633199D+00  0.177335D+01 -0.120684D+01
      5  -0.812235D+00  0.101870D+01  0.578206D+00  0.768163D+00  0.765313D-01
      6  -0.903094D+00  0.115408D+01  0.720576D+01 -0.188233D+01  0.533651D+01
               171           172           173           174           175 
      1  -0.280118D+01  0.685304D+02 -0.974529D+01 -0.771792D+01 -0.105182D+02
      2   0.372754D+01 -0.359958D+02 -0.265913D+01  0.704562D+01  0.107301D+01
      3  -0.926357D+00 -0.325346D+02  0.124044D+02  0.672300D+00  0.944518D+01
      4  -0.110869D+01 -0.266304D+02  0.337438D+02  0.662932D+00  0.350595D+02
      5  -0.815886D+00 -0.107659D+02 -0.113902D+00  0.160250D+02  0.112745D+01
      6   0.350995D+00  0.982381D+00 -0.468836D+00 -0.548731D+01 -0.450036D+00
               176           177           178           179           180 
      1   0.292124D+02 -0.521479D+01 -0.187373D+02  0.777459D+00  0.667482D+01
      2  -0.164634D+02  0.119053D+01  0.101637D+02  0.253721D+01 -0.123771D+02
      3  -0.127489D+02  0.402426D+01  0.857361D+01 -0.331466D+01  0.570229D+01
      4   0.428550D+01 -0.604356D+01  0.794925D+01 -0.123457D+02 -0.572500D+01
      5  -0.767492D+01 -0.217639D+00  0.211392D+02 -0.616441D+01 -0.698195D+01
      6   0.358465D+01  0.978701D+01 -0.398568D+01  0.666959D+01  0.418796D+01
               181           182           183           184           185 
      1  -0.150262D+01  0.155987D+01  0.846680D+01 -0.251781D+01  0.579634D+00
      2  -0.192964D+01 -0.450333D+00 -0.409003D+01  0.201737D+01 -0.158384D+01
      3   0.343226D+01 -0.110953D+01 -0.437677D+01  0.500448D+00  0.100421D+01
      4   0.111630D+01  0.380338D+01 -0.235533D+00  0.622325D+01  0.302395D+01
      5   0.673088D+01 -0.266277D+00  0.491795D+01 -0.103057D+00  0.533976D+01
      6  -0.515279D-02 -0.797499D+00 -0.504377D+00  0.464731D+00  0.861342D+00
               186           187           188           189           190 
      1  -0.132301D+01  0.121900D+02 -0.464594D+01 -0.152720D+02  0.200637D+02
      2   0.421227D+00 -0.955059D+01  0.375549D+00 -0.199085D+02 -0.711272D+01
      3   0.901780D+00 -0.263945D+01  0.427039D+01  0.351805D+02 -0.129510D+02
      4   0.549076D+01  0.137227D+00  0.931005D+01  0.915487D+01  0.181955D+02
      5  -0.683986D+00  0.139716D+02  0.706679D+01  0.534063D+02 -0.508704D+01
      6   0.635621D+01  0.922922D+00  0.655876D+01  0.479574D+01 -0.112641D+01
               191           192           193           194           195 
      1   0.129938D+02 -0.504540D+01  0.189706D+02  0.935250D+01 -0.747714D+00
      2  -0.372289D+01  0.184271D+01 -0.607763D+01  0.741736D+01 -0.149324D+01
      3  -0.927087D+01  0.320269D+01 -0.128929D+02 -0.167699D+02  0.224095D+01
      4   0.208741D+02 -0.236896D+01  0.248882D+02  0.418277D+02 -0.621650D+01
      5  -0.174203D+01  0.592451D+01 -0.177624D+01 -0.568035D+01  0.729834D+01
      6  -0.515545D+00  0.200569D+01 -0.463377D+00 -0.209656D+01  0.411750D+01
               196           197           198           199           200 
      1  -0.101790D+02 -0.159613D+01  0.210649D+01 -0.140986D+01 -0.161919D+00
      2   0.457930D+01 -0.760769D+00 -0.246289D+01  0.110353D+01  0.126166D+01
      3   0.559967D+01  0.235690D+01  0.356396D+00  0.306326D+00 -0.109975D+01
      4  -0.427233D+01 -0.112931D+02  0.760914D+01  0.232242D+01  0.324503D+01
      5   0.732104D+01  0.776621D+01 -0.190565D+01 -0.128938D+01 -0.111359D+01
      6   0.213676D+01  0.424939D+01 -0.252121D+01 -0.272106D+01 -0.117231D+01
               201           202           203           204           205 
      1  -0.557315D+00  0.710512D+00 -0.429916D+01  0.237773D+01 -0.142703D+01
      2   0.107129D-01  0.146175D+00  0.648286D+01 -0.451698D+01  0.298929D+00
      3   0.546602D+00 -0.856687D+00 -0.218371D+01  0.213925D+01  0.112810D+01
      4  -0.325690D+01  0.295912D+01  0.216308D+01 -0.163809D+01 -0.795429D+01
      5   0.248185D+01 -0.196032D+00 -0.141926D+01  0.160642D+01  0.386100D+01
      6   0.202026D+01 -0.743787D+00 -0.433781D+01  0.544480D+01  0.476588D+01
               206           207           208           209           210 
      1   0.126425D+02 -0.141315D+02 -0.108733D+02 -0.818797D+01  0.195327D+01
      2  -0.151918D+02  0.345302D+01  0.739538D+01  0.832880D+01 -0.103885D+01
      3   0.254932D+01  0.106785D+02  0.347796D+01 -0.140836D+00 -0.914412D+00
      4  -0.753877D+01  0.698839D+01  0.922106D+00 -0.104264D+02  0.227173D+00
      5   0.525609D+01 -0.140759D+02  0.134332D+01  0.122804D+01 -0.229392D+01
      6   0.170408D+02 -0.399213D+02 -0.666560D+00 -0.776845D+00  0.279358D+00
               211           212           213           214           215 
      1  -0.201278D+02 -0.165489D+02  0.244508D+01  0.372853D+01  0.286563D+01
      2   0.119008D+02  0.243512D+02 -0.297694D+01 -0.216871D+01 -0.317430D+01
      3   0.822700D+01 -0.780233D+01  0.531854D+00 -0.155981D+01  0.308667D+00
      4   0.370760D+01 -0.375921D+02  0.195693D+01 -0.299855D+00  0.562653D+01
      5   0.221251D+01  0.317087D+01 -0.920132D+01  0.108254D+01 -0.353878D+01
      6  -0.505269D-01 -0.157635D+01  0.344617D+01  0.406130D+00  0.349804D+01
               216 
      1  -0.152207D+01
      2   0.158054D+01
      3  -0.584707D-01
      4  -0.286024D+01
      5  -0.163304D+00
      6  -0.815575D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Mar 16 20:03:12 2022, MaxMem=  5368709120 cpu:            9300.2 elap:            1166.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.17380 -19.17188 -19.16551 -19.16325 -19.16040
 Alpha  occ. eigenvalues --  -19.15367 -10.30378 -10.25406 -10.25357 -10.25340
 Alpha  occ. eigenvalues --  -10.25323 -10.24044  -1.08912  -1.04957  -1.03978
 Alpha  occ. eigenvalues --   -1.02737  -1.01850  -1.01344  -0.79788  -0.77990
 Alpha  occ. eigenvalues --   -0.69686  -0.66113  -0.63357  -0.60991  -0.57279
 Alpha  occ. eigenvalues --   -0.56312  -0.53674  -0.52177  -0.51275  -0.50690
 Alpha  occ. eigenvalues --   -0.48543  -0.46687  -0.46187  -0.43896  -0.43014
 Alpha  occ. eigenvalues --   -0.41236  -0.39580  -0.39000  -0.37896  -0.37275
 Alpha  occ. eigenvalues --   -0.36315  -0.34244  -0.33673  -0.31467  -0.30517
 Alpha  occ. eigenvalues --   -0.29843  -0.29344  -0.28180
 Alpha virt. eigenvalues --    0.00396   0.00855   0.02040   0.02447   0.04149
 Alpha virt. eigenvalues --    0.04975   0.05688   0.06345   0.06846   0.07526
 Alpha virt. eigenvalues --    0.08973   0.09900   0.10352   0.10492   0.10838
 Alpha virt. eigenvalues --    0.11089   0.11775   0.12757   0.13509   0.13803
 Alpha virt. eigenvalues --    0.14222   0.14930   0.15149   0.15862   0.16292
 Alpha virt. eigenvalues --    0.16788   0.17230   0.17795   0.18460   0.18830
 Alpha virt. eigenvalues --    0.19240   0.20458   0.21129   0.22223   0.22589
 Alpha virt. eigenvalues --    0.23439   0.24438   0.24573   0.24792   0.25557
 Alpha virt. eigenvalues --    0.25969   0.26044   0.26414   0.27101   0.27705
 Alpha virt. eigenvalues --    0.28292   0.29060   0.29346   0.29626   0.30589
 Alpha virt. eigenvalues --    0.30979   0.31496   0.32437   0.32847   0.33018
 Alpha virt. eigenvalues --    0.33887   0.34273   0.34658   0.34973   0.35336
 Alpha virt. eigenvalues --    0.35611   0.35751   0.36306   0.36749   0.37077
 Alpha virt. eigenvalues --    0.38150   0.39098   0.40118   0.40613   0.41166
 Alpha virt. eigenvalues --    0.41316   0.41927   0.42122   0.42334   0.43096
 Alpha virt. eigenvalues --    0.43752   0.44783   0.45706   0.46344   0.46606
 Alpha virt. eigenvalues --    0.46946   0.47774   0.48433   0.48880   0.49909
 Alpha virt. eigenvalues --    0.50259   0.50409   0.51329   0.51498   0.52351
 Alpha virt. eigenvalues --    0.52885   0.53361   0.54007   0.54763   0.55180
 Alpha virt. eigenvalues --    0.55479   0.56094   0.56485   0.56958   0.57397
 Alpha virt. eigenvalues --    0.57806   0.57853   0.59093   0.59532   0.60140
 Alpha virt. eigenvalues --    0.60645   0.61149   0.61806   0.62426   0.62611
 Alpha virt. eigenvalues --    0.63201   0.63948   0.64342   0.65375   0.65898
 Alpha virt. eigenvalues --    0.66701   0.67182   0.67342   0.68046   0.68902
 Alpha virt. eigenvalues --    0.70284   0.71389   0.71756   0.71963   0.73798
 Alpha virt. eigenvalues --    0.74094   0.75208   0.75813   0.76234   0.77051
 Alpha virt. eigenvalues --    0.77452   0.78198   0.78845   0.79244   0.80752
 Alpha virt. eigenvalues --    0.81014   0.81938   0.82900   0.83514   0.84161
 Alpha virt. eigenvalues --    0.85280   0.86735   0.87175   0.88197   0.89369
 Alpha virt. eigenvalues --    0.90613   0.92362   0.93720   0.95126   0.96413
 Alpha virt. eigenvalues --    0.97622   0.99739   1.01559   1.02294   1.03527
 Alpha virt. eigenvalues --    1.05028   1.06852   1.07473   1.08170   1.09566
 Alpha virt. eigenvalues --    1.10451   1.11892   1.12347   1.13188   1.14151
 Alpha virt. eigenvalues --    1.16697   1.18679   1.19739   1.21145   1.21614
 Alpha virt. eigenvalues --    1.23700   1.26286   1.26598   1.28931   1.31299
 Alpha virt. eigenvalues --    1.33700   1.35845   1.36930   1.37577   1.38998
 Alpha virt. eigenvalues --    1.42153   1.44725   1.47296   1.49242   1.50522
 Alpha virt. eigenvalues --    1.52246   1.52684   1.55385   1.56088   1.57550
 Alpha virt. eigenvalues --    1.58769   1.59754   1.62364   1.62930   1.64975
 Alpha virt. eigenvalues --    1.66370   1.67264   1.69603   1.70269   1.71625
 Alpha virt. eigenvalues --    1.71951   1.74976   1.77077   1.79111   1.81365
 Alpha virt. eigenvalues --    1.82179   1.82472   1.85129   1.86430   1.88714
 Alpha virt. eigenvalues --    1.89418   1.90413   1.91387   1.93591   1.93901
 Alpha virt. eigenvalues --    1.96429   1.96946   1.98217   1.98615   1.99964
 Alpha virt. eigenvalues --    2.00736   2.02959   2.04135   2.04959   2.05383
 Alpha virt. eigenvalues --    2.07382   2.09434   2.10483   2.10642   2.12110
 Alpha virt. eigenvalues --    2.12663   2.14662   2.16277   2.17816   2.18929
 Alpha virt. eigenvalues --    2.19507   2.21081   2.21621   2.23670   2.25132
 Alpha virt. eigenvalues --    2.25473   2.25881   2.28212   2.28594   2.31658
 Alpha virt. eigenvalues --    2.32496   2.33996   2.34443   2.35410   2.36441
 Alpha virt. eigenvalues --    2.37268   2.38199   2.38519   2.41141   2.41830
 Alpha virt. eigenvalues --    2.45329   2.46263   2.48410   2.50374   2.54065
 Alpha virt. eigenvalues --    2.55949   2.57796   2.61816   2.64512   2.67078
 Alpha virt. eigenvalues --    2.69951   2.72299   2.81189   2.87649   2.90217
 Alpha virt. eigenvalues --    2.93547   2.99469   2.99959   3.00788   3.02379
 Alpha virt. eigenvalues --    3.03527   3.04914   3.05478   3.06399   3.07869
 Alpha virt. eigenvalues --    3.08721   3.09029   3.11652   3.12856   3.14713
 Alpha virt. eigenvalues --    3.16158   3.18147   3.19030   3.21145   3.22546
 Alpha virt. eigenvalues --    3.23687   3.25508   3.28852   3.31188   3.49058
 Alpha virt. eigenvalues --    3.53838   3.54062   3.58309   3.59578   3.67409
 Alpha virt. eigenvalues --    3.79184   3.92267   3.95302   3.95840   3.97346
 Alpha virt. eigenvalues --    3.99102
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.203904  -0.173744  -0.416068  -0.156307   0.002413  -0.102830
     2  C   -0.173744   6.176299  -0.083949  -0.006236  -0.130411  -0.273873
     3  C   -0.416068  -0.083949   6.376994  -0.042145  -0.172496  -0.090784
     4  C   -0.156307  -0.006236  -0.042145   6.358763  -0.617934   0.172346
     5  O    0.002413  -0.130411  -0.172496  -0.617934  10.408933  -0.839280
     6  C   -0.102830  -0.273873  -0.090784   0.172346  -0.839280   6.031871
     7  O    0.021154  -0.140389  -0.158700   0.034539   0.043700   0.011232
     8  H    0.421318   0.021264   0.029866  -0.116108   0.049349  -0.056763
     9  O   -0.167724  -0.060426   0.014836  -0.009922   0.104006  -0.116235
    10  H    0.095050   0.419173  -0.084610  -0.000651  -0.144224   0.195951
    11  H    0.115073  -0.039862   0.278639   0.047350  -0.142886   0.051253
    12  O   -0.047432  -0.004981  -0.109936  -0.141731   0.066598   0.007049
    13  C    0.016923  -0.020664  -0.148712   0.104226  -0.023547   0.033934
    14  H   -0.035319  -0.010622   0.205471   0.343493  -0.087821  -0.022823
    15  O    0.033876   0.023130  -0.013722  -0.045906   0.052472  -0.295789
    16  H   -0.065211   0.132141  -0.000067   0.090659  -0.131449   0.338043
    17  H    0.049725  -0.022037   0.055503   0.003773  -0.006125   0.009864
    18  H    0.059363   0.039146   0.003599   0.000858   0.009672  -0.035437
    19  H   -0.055040   0.004952   0.105274   0.044448   0.000553  -0.001824
    20  O   -0.003517  -0.006368   0.007273  -0.082210  -0.007487   0.019747
    21  H   -0.001817   0.006458  -0.029695   0.135786  -0.015813  -0.005457
    22  H    0.020490  -0.000551  -0.048629   0.006699   0.068530  -0.007613
    23  H    0.001936  -0.032257   0.001312  -0.006250   0.031674   0.114680
    24  H    0.000919  -0.000255   0.013354  -0.021848   0.048134  -0.008060
               7          8          9         10         11         12
     1  C    0.021154   0.421318  -0.167724   0.095050   0.115073  -0.047432
     2  C   -0.140389   0.021264  -0.060426   0.419173  -0.039862  -0.004981
     3  C   -0.158700   0.029866   0.014836  -0.084610   0.278639  -0.109936
     4  C    0.034539  -0.116108  -0.009922  -0.000651   0.047350  -0.141731
     5  O    0.043700   0.049349   0.104006  -0.144224  -0.142886   0.066598
     6  C    0.011232  -0.056763  -0.116235   0.195951   0.051253   0.007049
     7  O    8.302502  -0.026731   0.056539  -0.052611  -0.100442   0.037966
     8  H   -0.026731   0.846774  -0.052505  -0.004095   0.044070  -0.041501
     9  O    0.056539  -0.052505   8.383456  -0.091294  -0.001180   0.006987
    10  H   -0.052611  -0.004095  -0.091294   0.934507  -0.006553   0.002676
    11  H   -0.100442   0.044070  -0.001180  -0.006553   1.071757  -0.099594
    12  O    0.037966  -0.041501   0.006987   0.002676  -0.099594   8.363181
    13  C    0.007988   0.002910   0.002582   0.000512  -0.027179   0.072198
    14  H    0.005028  -0.020053   0.002274  -0.002077   0.032991  -0.092616
    15  O   -0.002462   0.009002  -0.008341  -0.016810  -0.005950   0.000241
    16  H    0.003500  -0.038058  -0.059233   0.021334  -0.000673   0.000309
    17  H    0.173709  -0.001975  -0.002061   0.002505   0.006301  -0.000599
    18  H    0.000393   0.005738   0.189659  -0.030225   0.000069  -0.000394
    19  H    0.011182  -0.009691   0.001199  -0.000001  -0.007240   0.157261
    20  O    0.000124   0.000390   0.000450  -0.000661  -0.000847   0.006045
    21  H    0.001678  -0.000847  -0.000283   0.000101  -0.027315  -0.011528
    22  H    0.000754   0.001779   0.000084   0.000314  -0.002658   0.034403
    23  H    0.000872   0.000743   0.011657  -0.016719   0.000589   0.000071
    24  H   -0.000082  -0.000068   0.000084   0.000097   0.001575   0.000520
              13         14         15         16         17         18
     1  C    0.016923  -0.035319   0.033876  -0.065211   0.049725   0.059363
     2  C   -0.020664  -0.010622   0.023130   0.132141  -0.022037   0.039146
     3  C   -0.148712   0.205471  -0.013722  -0.000067   0.055503   0.003599
     4  C    0.104226   0.343493  -0.045906   0.090659   0.003773   0.000858
     5  O   -0.023547  -0.087821   0.052472  -0.131449  -0.006125   0.009672
     6  C    0.033934  -0.022823  -0.295789   0.338043   0.009864  -0.035437
     7  O    0.007988   0.005028  -0.002462   0.003500   0.173709   0.000393
     8  H    0.002910  -0.020053   0.009002  -0.038058  -0.001975   0.005738
     9  O    0.002582   0.002274  -0.008341  -0.059233  -0.002061   0.189659
    10  H    0.000512  -0.002077  -0.016810   0.021334   0.002505  -0.030225
    11  H   -0.027179   0.032991  -0.005950  -0.000673   0.006301   0.000069
    12  O    0.072198  -0.092616   0.000241   0.000309  -0.000599  -0.000394
    13  C    4.393295  -0.095227  -0.005117   0.004261  -0.000150   0.000020
    14  H   -0.095227   0.943133  -0.012748   0.010019  -0.000477   0.000370
    15  O   -0.005117  -0.012748   8.779418  -0.113649  -0.000234   0.000561
    16  H    0.004261   0.010019  -0.113649   1.130853   0.000243  -0.002616
    17  H   -0.000150  -0.000477  -0.000234   0.000243   0.590205  -0.000106
    18  H    0.000020   0.000370   0.000561  -0.002616  -0.000106   0.601764
    19  H   -0.005264   0.007867   0.000006   0.000042  -0.001550  -0.000017
    20  O    0.155910  -0.021016  -0.001458   0.002834   0.000001   0.000001
    21  H    0.230500   0.022761  -0.000673   0.001403  -0.000014   0.000012
    22  H    0.194617  -0.041244   0.000944  -0.000295  -0.000022  -0.000001
    23  H    0.001026  -0.000246   0.032305   0.009551  -0.000058   0.003094
    24  H    0.002364   0.008489  -0.003309   0.003906  -0.000001  -0.000000
              19         20         21         22         23         24
     1  C   -0.055040  -0.003517  -0.001817   0.020490   0.001936   0.000919
     2  C    0.004952  -0.006368   0.006458  -0.000551  -0.032257  -0.000255
     3  C    0.105274   0.007273  -0.029695  -0.048629   0.001312   0.013354
     4  C    0.044448  -0.082210   0.135786   0.006699  -0.006250  -0.021848
     5  O    0.000553  -0.007487  -0.015813   0.068530   0.031674   0.048134
     6  C   -0.001824   0.019747  -0.005457  -0.007613   0.114680  -0.008060
     7  O    0.011182   0.000124   0.001678   0.000754   0.000872  -0.000082
     8  H   -0.009691   0.000390  -0.000847   0.001779   0.000743  -0.000068
     9  O    0.001199   0.000450  -0.000283   0.000084   0.011657   0.000084
    10  H   -0.000001  -0.000661   0.000101   0.000314  -0.016719   0.000097
    11  H   -0.007240  -0.000847  -0.027315  -0.002658   0.000589   0.001575
    12  O    0.157261   0.006045  -0.011528   0.034403   0.000071   0.000520
    13  C   -0.005264   0.155910   0.230500   0.194617   0.001026   0.002364
    14  H    0.007867  -0.021016   0.022761  -0.041244  -0.000246   0.008489
    15  O    0.000006  -0.001458  -0.000673   0.000944   0.032305  -0.003309
    16  H    0.000042   0.002834   0.001403  -0.000295   0.009551   0.003906
    17  H   -0.001550   0.000001  -0.000014  -0.000022  -0.000058  -0.000001
    18  H   -0.000017   0.000001   0.000012  -0.000001   0.003094  -0.000000
    19  H    0.635844  -0.000355   0.003606  -0.003435   0.000007  -0.000124
    20  O   -0.000355   8.115122  -0.026773  -0.061001   0.000311   0.268369
    21  H    0.003606  -0.026773   0.977067  -0.080151   0.000314  -0.008912
    22  H   -0.003435  -0.061001  -0.080151   1.153686   0.000021   0.016651
    23  H    0.000007   0.000311   0.000314   0.000021   0.646041   0.000325
    24  H   -0.000124   0.268369  -0.008912   0.016651   0.000325   0.485764
 Mulliken charges:
               1
     1  C    0.182865
     2  C    0.184063
     3  C    0.307392
     4  C   -0.095692
     5  O   -0.566560
     6  C    0.870799
     7  O   -0.231443
     8  H   -0.064809
     9  O   -0.204609
    10  H   -0.221690
    11  H   -0.187286
    12  O   -0.205192
    13  C    1.102595
    14  H   -0.139603
    15  O   -0.405786
    16  H   -0.337848
    17  H    0.143582
    18  H    0.154480
    19  H    0.112297
    20  O   -0.364885
    21  H   -0.170409
    22  H   -0.253369
    23  H    0.199002
    24  H    0.192105
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.118056
     2  C   -0.037627
     3  C    0.120106
     4  C   -0.235295
     5  O   -0.566560
     6  C    0.532951
     7  O   -0.087861
     9  O   -0.050129
    12  O   -0.092894
    13  C    0.678817
    15  O   -0.206784
    20  O   -0.172780
 Electronic spatial extent (au):  <R**2>=           2211.2930
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -4.1208    Y=             -0.5312    Z=              2.1169  Tot=              4.6631
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -81.8172   YY=            -74.6217   ZZ=            -69.8392
   XY=              2.2550   XZ=              0.7827   YZ=             -4.6975
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.3912   YY=              0.8043   ZZ=              5.5869
   XY=              2.2550   XZ=              0.7827   YZ=             -4.6975
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -79.6524  YYY=              7.3326  ZZZ=              4.1818  XYY=            -10.8280
  XXY=             -1.4813  XXZ=             17.4720  XZZ=             -3.2522  YZZ=            -10.1055
  YYZ=             11.5284  XYZ=             11.4927
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1716.9641 YYYY=          -1016.7103 ZZZZ=           -143.0339 XXXY=             49.8821
 XXXZ=             12.9396 YYYX=            -36.7707 YYYZ=            -39.7333 ZZZX=             -1.9258
 ZZZY=            -10.5967 XXYY=           -383.2628 XXZZ=           -293.1170 YYZZ=           -182.0116
 XXYZ=            -26.4836 YYXZ=             -1.4806 ZZXY=              9.0264
 N-N= 8.250891300381D+02 E-N=-3.258492696754D+03  KE= 6.804011506677D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Mar 16 20:03:12 2022, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.60935094D+00-2.37664425D-01 8.21406499D-01
 Polarizability= 1.26445107D+02 3.07543568D+00 1.24177093D+02
                -3.58596025D-01-6.34449583D-01 1.08372538D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0011   -0.0002        0.8375    0.8402
 2      0.0011    0.0002        0.1999    0.2000       -2.3775   -2.3748
 3     -0.8375   -0.8402       12.2272   12.2251       -0.2003   -0.2000
 4     -0.1999   -0.2000        0.0000    0.0000       -0.8386   -0.8402
 5     -9.8498   -9.8502        0.8386    0.8402       -0.0017   -0.0002
 6      0.2003    0.2000        0.0017    0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0005    0.0005        2.5205    2.5205
 2     -0.6001   -0.6001        0.0000    0.0000        2.5205    2.5205
 3     -0.6001   -0.6001        0.0005    0.0005       -0.0000    0.0000
 4      0.0005    0.0005        0.6001    0.6001       -7.1245   -7.1245
 5     -2.5205   -2.5205       36.6753   36.6753       -0.6001   -0.6001
 6    -29.5507  -29.5507        2.5205    2.5205       -0.0005   -0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0601    0.0000        0.0659    0.0006       -3.2263   -3.3607
 2     -0.1250   -0.0006       -0.8321   -0.8002        9.5121    9.4994
 3      3.1851    3.3607      -48.7796  -48.9004        0.8405    0.8002
 4      0.6804    0.8002       -0.0451    0.0000        3.5461    3.3607
 5     39.3454   39.4010       -3.1575   -3.3607        0.1892    0.0006
 6     -0.9561   -0.8002       -0.0383   -0.0006       -0.2279    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0606    0.0000        8.3141    8.4142        6.3947    6.4390
 2     -8.0044   -8.4142       -6.1442   -6.1476       -2.0265   -2.0917
 3     -6.6031   -6.4390       -6.0102   -6.2513        6.4611    6.1476
 4      6.0954    6.1476        0.0633    0.0000       -6.3898   -6.4390
 5      8.1057    8.3430        6.5880    6.4390        8.5926    8.4142
 6     -6.1191   -6.1476       -8.3814   -8.4142       -0.0191    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -20.8035  -20.6902        4.9773    4.8992      -11.0466  -11.0190
 2    -18.6784  -18.5203       16.2688   16.2886      -11.0426  -11.0190
 3    -18.7437  -18.5203        4.8510    4.8992      -14.6203  -14.5742
 4    -10.8925  -11.3894       -2.1276   -2.1698       -9.4075   -9.2988
 5     -3.9570   -3.5552      -11.4470  -11.3236        2.3858    2.1698
 6     20.1183   20.6224        3.3880    3.5552       11.6090   11.3894
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.4579   -6.9937    0.0008    0.0009    0.0010   10.1300
 Low frequencies ---   69.4507   98.0020  111.7534
 Diagonal vibrational polarizability:
      143.9198930      89.8040147     170.7555861
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     69.4286                97.9989               111.7438
 Red. masses --      6.9191                 4.4987                 6.0414
 Frc consts  --      0.0197                 0.0255                 0.0444
 IR Inten    --      0.6947                 8.8798                 0.9999
 RamAct Fr= 1--      0.0157                 0.0626                 0.0921
  Dep-P Fr= 1--      0.7445                 0.6689                 0.6745
  Dep-U Fr= 1--      0.8535                 0.8016                 0.8056
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0001
 Beta2  Fr= 1--      0.0022                 0.0084                 0.0124
 AlphaG Fr= 1--     -0.0000                 0.0003                 0.0002
 Gamma2 Fr= 1--     -0.0382                -0.1083                 0.0146
 Delta2 Fr= 1--     -0.0058                -0.0182                -0.0064
 Raman1 Fr= 1--       0.063                  0.250                  0.369
 ROA1   Fr= 1--      -3.849                -10.983                  1.202
 CID1   Fr= 1--     -61.383                -43.865                  3.263
 Raman2 Fr= 1--       0.027                  0.100                  0.148
 ROA2   Fr= 1--      -0.870                 -2.454                  0.402
 CID2   Fr= 1--     -32.504                -24.455                  2.710
 Raman3 Fr= 1--       0.054                  0.201                  0.297
 ROA3   Fr= 1--      -3.849                -10.983                  1.202
 CID3   Fr= 1--     -71.917                -54.719                  4.050
 RC180  Fr= 1--       0.707                  0.603                  0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.03     0.02  -0.03  -0.05    -0.02   0.02   0.09
     2   6     0.04  -0.01   0.08    -0.00   0.01   0.05    -0.05  -0.01  -0.04
     3   6     0.01   0.03  -0.12    -0.00  -0.05   0.02     0.02  -0.00  -0.05
     4   6     0.03   0.02  -0.06     0.01  -0.06   0.05    -0.01  -0.07   0.07
     5   8     0.01   0.00  -0.12    -0.03  -0.08  -0.05    -0.06  -0.02   0.15
     6   6    -0.01   0.05  -0.11    -0.06  -0.01  -0.02    -0.02  -0.01   0.04
     7   8     0.02  -0.01   0.12     0.02   0.04  -0.19     0.05  -0.03   0.29
     8   1    -0.15  -0.01   0.03     0.08  -0.12  -0.06    -0.12   0.13   0.10
     9   8    -0.05  -0.00   0.27    -0.06   0.03   0.18     0.02   0.04  -0.23
    10   1     0.21  -0.04   0.08     0.10   0.05   0.06    -0.19  -0.07  -0.05
    11   1     0.09   0.15  -0.12    -0.06  -0.04   0.02     0.09   0.17  -0.05
    12   8    -0.03  -0.02  -0.28     0.05  -0.06   0.04     0.03  -0.10  -0.28
    13   6    -0.03   0.02   0.10    -0.03  -0.04   0.15    -0.02  -0.01   0.07
    14   1     0.12   0.03  -0.06     0.09  -0.00   0.05     0.01  -0.15   0.07
    15   8     0.02  -0.01  -0.26    -0.10  -0.01  -0.05    -0.08  -0.01  -0.00
    16   1    -0.05   0.19  -0.12    -0.10   0.02  -0.02     0.08  -0.01   0.04
    17   1    -0.02  -0.03   0.23     0.02  -0.01  -0.17     0.04   0.10   0.26
    18   1     0.06  -0.07   0.21    -0.02   0.01   0.18    -0.06   0.05  -0.27
    19   1     0.04   0.02  -0.20     0.02  -0.06  -0.04     0.13  -0.01  -0.22
    20   8     0.01  -0.06   0.31     0.17   0.24  -0.10     0.12   0.18  -0.07
    21   1    -0.17   0.11   0.10    -0.10  -0.36   0.15    -0.02  -0.16   0.07
    22   1     0.04  -0.03   0.08    -0.15   0.11   0.45    -0.14   0.09   0.20
    23   1     0.10  -0.15  -0.26    -0.03  -0.05  -0.05    -0.21  -0.01  -0.01
    24   1    -0.07  -0.02   0.29     0.40   0.09  -0.22     0.34   0.07  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.9643               183.1335               196.0581
 Red. masses --      5.7823                 2.2070                 1.6947
 Frc consts  --      0.0716                 0.0436                 0.0384
 IR Inten    --      2.3290                20.9323                76.4637
 RamAct Fr= 1--      0.0661                 0.1876                 0.7030
  Dep-P Fr= 1--      0.5195                 0.7418                 0.7402
  Dep-U Fr= 1--      0.6838                 0.8517                 0.8507
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0075                 0.0266                 0.0997
 AlphaG Fr= 1--      0.0001                -0.0005                 0.0006
 Gamma2 Fr= 1--      0.0155                -0.0744                 0.0445
 Delta2 Fr= 1--      0.0306                -0.1334                 0.1020
 Raman1 Fr= 1--       0.264                  0.750                  2.812
 ROA1   Fr= 1--       2.463                -11.410                  7.536
 CID1   Fr= 1--       9.313                -15.208                  2.680
 Raman2 Fr= 1--       0.090                  0.320                  1.196
 ROA2   Fr= 1--       0.126                 -0.717                  0.252
 CID2   Fr= 1--       1.395                 -2.246                  0.210
 Raman3 Fr= 1--       0.181                  0.639                  2.392
 ROA3   Fr= 1--       2.463                -11.410                  7.536
 CID3   Fr= 1--      13.619                -17.856                  3.151
 RC180  Fr= 1--       0.368                  0.703                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.03     0.01   0.01  -0.00    -0.02   0.00   0.01
     2   6     0.01  -0.01   0.08     0.03   0.00  -0.03    -0.02   0.00   0.01
     3   6    -0.00   0.08   0.07     0.00   0.06   0.01    -0.01   0.00  -0.00
     4   6    -0.00   0.02   0.19     0.02   0.06   0.03     0.02   0.02   0.01
     5   8    -0.03   0.08   0.30     0.01   0.02  -0.08     0.01   0.01  -0.05
     6   6     0.07   0.06   0.05     0.01  -0.01  -0.03     0.00   0.02  -0.00
     7   8    -0.06   0.02  -0.13    -0.09  -0.07   0.00     0.08   0.07   0.03
     8   1     0.09  -0.11   0.03     0.03   0.03  -0.00    -0.03   0.01   0.02
     9   8     0.02  -0.02   0.06     0.02   0.05  -0.02     0.01  -0.09  -0.01
    10   1     0.01  -0.02   0.08     0.04  -0.01  -0.03    -0.03  -0.00   0.01
    11   1    -0.02   0.22   0.07    -0.00   0.12   0.00    -0.01   0.02  -0.00
    12   8    -0.01   0.01  -0.10     0.01   0.03  -0.07    -0.08   0.02  -0.02
    13   6     0.05  -0.05   0.03    -0.01  -0.09   0.14    -0.01  -0.06   0.08
    14   1    -0.06  -0.08   0.19     0.11   0.14   0.03     0.07   0.07   0.01
    15   8     0.06  -0.03  -0.26     0.06   0.01   0.08     0.02   0.02   0.03
    16   1     0.26   0.26   0.05    -0.04  -0.08  -0.03    -0.05   0.01  -0.00
    17   1    -0.03  -0.06  -0.19    -0.15  -0.41   0.29     0.18   0.54  -0.40
    18   1     0.09  -0.09  -0.06    -0.11   0.17   0.16     0.22  -0.27  -0.26
    19   1    -0.02   0.03  -0.21     0.12   0.10   0.05    -0.22  -0.06  -0.17
    20   8    -0.12  -0.09  -0.18    -0.06  -0.04  -0.06    -0.03  -0.03  -0.03
    21   1     0.22  -0.12   0.03    -0.09  -0.36   0.14    -0.06  -0.22   0.08
    22   1     0.08  -0.07   0.01     0.07  -0.05   0.39     0.05  -0.04   0.24
    23   1    -0.10  -0.25  -0.27     0.11   0.09   0.09     0.17   0.02   0.04
    24   1    -0.18  -0.06  -0.19    -0.17  -0.05  -0.32    -0.09  -0.03  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    238.1003               278.9829               289.0419
 Red. masses --      2.6711                 2.7260                 2.5730
 Frc consts  --      0.0892                 0.1250                 0.1267
 IR Inten    --     61.5647                54.0780                49.5092
 RamAct Fr= 1--      0.3830                 0.1136                 0.6267
  Dep-P Fr= 1--      0.4853                 0.7473                 0.6299
  Dep-U Fr= 1--      0.6535                 0.8554                 0.7729
 Alpha2 Fr= 1--      0.0020                 0.0000                 0.0014
 Beta2  Fr= 1--      0.0417                 0.0162                 0.0807
 AlphaG Fr= 1--      0.0014                -0.0002                 0.0034
 Gamma2 Fr= 1--     -0.1339                 0.0637                -0.2763
 Delta2 Fr= 1--     -0.0795                 0.0597                -0.1426
 Raman1 Fr= 1--       1.532                  0.454                  2.507
 ROA1   Fr= 1--     -15.403                  8.023                -31.089
 CID1   Fr= 1--     -10.055                 17.657                -12.403
 Raman2 Fr= 1--       0.501                  0.194                  0.969
 ROA2   Fr= 1--      -2.578                  1.051                 -5.491
 CID2   Fr= 1--      -5.151                  5.406                 -5.668
 Raman3 Fr= 1--       1.001                  0.389                  1.937
 ROA3   Fr= 1--     -15.403                  8.023                -31.089
 CID3   Fr= 1--     -15.386                 20.642                -16.046
 RC180  Fr= 1--       0.307                  0.711                  0.546
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.07  -0.04    -0.02   0.01   0.01     0.04  -0.02   0.13
     2   6     0.04   0.03  -0.03    -0.05  -0.02   0.01     0.03  -0.01   0.09
     3   6    -0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02   0.01   0.11
     4   6    -0.04   0.00   0.01    -0.06   0.00   0.00    -0.03   0.01   0.03
     5   8     0.01  -0.02  -0.00    -0.02   0.00  -0.01     0.05  -0.07  -0.10
     6   6     0.02   0.03  -0.02    -0.01  -0.04   0.01    -0.01  -0.02   0.02
     7   8    -0.09   0.01   0.03     0.06   0.07   0.01    -0.10  -0.04  -0.04
     8   1    -0.06   0.12  -0.04    -0.03   0.00   0.01     0.12  -0.09   0.12
     9   8     0.04  -0.16   0.04    -0.04   0.01  -0.03     0.06   0.15  -0.02
    10   1     0.09   0.06  -0.03    -0.08  -0.02   0.00    -0.03  -0.09   0.09
    11   1    -0.06   0.03  -0.01    -0.03  -0.01   0.01     0.10   0.10   0.11
    12   8     0.20  -0.06  -0.00     0.13  -0.09  -0.00     0.03  -0.06  -0.05
    13   6    -0.04   0.03   0.00    -0.09   0.06   0.01    -0.02   0.06  -0.03
    14   1    -0.03   0.00   0.01    -0.06   0.02   0.00    -0.09   0.13   0.03
    15   8    -0.08   0.06   0.01     0.18  -0.10  -0.01    -0.02  -0.03   0.01
    16   1     0.03   0.00  -0.02    -0.03  -0.02   0.00    -0.12   0.00   0.01
    17   1    -0.08  -0.00   0.02     0.12   0.35  -0.24     0.02   0.04  -0.40
    18   1     0.41  -0.44  -0.29    -0.34   0.30   0.44     0.18  -0.10  -0.57
    19   1     0.50   0.15   0.29     0.27   0.02   0.05    -0.08  -0.07  -0.39
    20   8    -0.06   0.02  -0.01    -0.11   0.06   0.01    -0.04   0.03   0.02
    21   1    -0.02   0.04   0.00    -0.10   0.06   0.02     0.03   0.15  -0.03
    22   1    -0.05   0.03  -0.01    -0.11   0.07   0.01    -0.05   0.04  -0.13
    23   1     0.08   0.05   0.02     0.26  -0.14  -0.01     0.09  -0.06   0.02
    24   1    -0.09   0.03  -0.04    -0.22   0.08  -0.15    -0.09   0.05   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    309.1825               315.5673               325.4917
 Red. masses --      1.6427                 2.0774                 2.2193
 Frc consts  --      0.0925                 0.1219                 0.1385
 IR Inten    --    162.3260               101.9413               121.4698
 RamAct Fr= 1--      1.0104                 0.8847                 1.1606
  Dep-P Fr= 1--      0.3138                 0.2525                 0.3259
  Dep-U Fr= 1--      0.4777                 0.4032                 0.4915
 Alpha2 Fr= 1--      0.0099                 0.0104                 0.0110
 Beta2  Fr= 1--      0.0804                 0.0595                 0.0951
 AlphaG Fr= 1--     -0.0099                -0.0016                 0.0020
 Gamma2 Fr= 1--      0.8424                 0.1049                 0.0297
 Delta2 Fr= 1--      0.3492                 0.0755                -0.1383
 Raman1 Fr= 1--       4.041                  3.539                  4.643
 ROA1   Fr= 1--      92.045                 12.486                 -1.574
 CID1   Fr= 1--      22.775                  3.528                 -0.339
 Raman2 Fr= 1--       0.965                  0.713                  1.141
 ROA2   Fr= 1--      17.424                  1.914                  1.820
 CID2   Fr= 1--      18.049                  2.683                  1.595
 Raman3 Fr= 1--       1.931                  1.427                  2.282
 ROA3   Fr= 1--      92.045                 12.486                 -1.574
 CID3   Fr= 1--      47.672                  8.750                 -0.690
 RC180  Fr= 1--      -0.045                 -0.194                 -0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01   0.03     0.00  -0.01   0.05    -0.04   0.03   0.08
     2   6    -0.08   0.00   0.05    -0.01   0.01   0.08    -0.03   0.02   0.06
     3   6     0.00  -0.00  -0.00    -0.01  -0.03   0.03    -0.00   0.01   0.06
     4   6     0.00  -0.00  -0.02    -0.01  -0.00   0.01     0.02   0.01   0.02
     5   8    -0.05   0.04  -0.01     0.04  -0.04  -0.04     0.04  -0.02  -0.07
     6   6    -0.04   0.03   0.03    -0.00   0.03   0.04    -0.02   0.06   0.03
     7   8    -0.02   0.04  -0.04     0.10   0.13  -0.07    -0.12   0.04  -0.02
     8   1    -0.02  -0.06   0.03     0.02  -0.10   0.04     0.00  -0.00   0.08
     9   8    -0.07   0.04  -0.02     0.06  -0.07  -0.07     0.04  -0.11  -0.08
    10   1    -0.13  -0.02   0.05    -0.10  -0.01   0.07    -0.13   0.01   0.06
    11   1     0.04  -0.01  -0.00     0.01  -0.02   0.03     0.05   0.06   0.06
    12   8    -0.01  -0.01  -0.02    -0.04  -0.04  -0.01     0.00  -0.03  -0.04
    13   6     0.02  -0.05  -0.01    -0.03   0.04   0.00     0.07  -0.03  -0.02
    14   1     0.00  -0.00  -0.02    -0.02   0.03   0.01     0.00   0.09   0.02
    15   8     0.10  -0.02   0.00    -0.04   0.02  -0.02    -0.04   0.06  -0.02
    16   1    -0.09   0.06   0.02    -0.07   0.09   0.04    -0.10   0.13   0.02
    17   1    -0.06  -0.11   0.15    -0.12  -0.42   0.74    -0.03   0.13  -0.29
    18   1     0.13  -0.20  -0.45     0.03  -0.03   0.00    -0.29   0.28   0.64
    19   1     0.25   0.10   0.45    -0.10  -0.06  -0.11     0.09   0.03   0.05
    20   8     0.07  -0.03  -0.01    -0.05   0.02   0.01     0.08  -0.05  -0.01
    21   1     0.01  -0.07  -0.01    -0.03   0.05   0.01     0.10  -0.01  -0.02
    22   1     0.03  -0.05   0.01    -0.04   0.04  -0.01     0.07  -0.05  -0.05
    23   1     0.42  -0.11   0.02     0.16  -0.09  -0.02     0.10  -0.00  -0.02
    24   1     0.26  -0.07   0.26    -0.19   0.05  -0.18     0.23  -0.06   0.27
                     13                     14                     15
                      A                      A                      A
 Frequencies --    340.8426               372.0828               389.5520
 Red. masses --      1.2501                 1.6604                 1.5655
 Frc consts  --      0.0856                 0.1354                 0.1400
 IR Inten    --     41.7708               212.2319                92.6949
 RamAct Fr= 1--      0.7346                 2.4430                 1.2216
  Dep-P Fr= 1--      0.7418                 0.4787                 0.4343
  Dep-U Fr= 1--      0.8518                 0.6474                 0.6056
 Alpha2 Fr= 1--      0.0001                 0.0133                 0.0080
 Beta2  Fr= 1--      0.1043                 0.2636                 0.1233
 AlphaG Fr= 1--     -0.0006                -0.0087                 0.0135
 Gamma2 Fr= 1--     -0.2075                -0.2295                -0.1504
 Delta2 Fr= 1--     -0.1167                -0.0486                -0.1745
 Raman1 Fr= 1--       2.938                  9.772                  4.886
 ROA1   Fr= 1--     -23.657                -23.588                -20.025
 CID1   Fr= 1--      -8.051                 -2.414                 -4.098
 Raman2 Fr= 1--       1.251                  3.163                  1.480
 ROA2   Fr= 1--      -4.046                 -5.119                 -2.215
 CID2   Fr= 1--      -3.233                 -1.618                 -1.497
 Raman3 Fr= 1--       2.503                  6.327                  2.959
 ROA3   Fr= 1--     -23.657                -23.588                -20.025
 CID3   Fr= 1--      -9.452                 -3.728                 -6.767
 RC180  Fr= 1--       0.704                  0.295                  0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03   0.02     0.04   0.00  -0.01     0.03   0.01  -0.02
     2   6     0.00  -0.02   0.03     0.06  -0.01  -0.02     0.06   0.02   0.01
     3   6     0.01  -0.01   0.00    -0.01   0.02   0.02     0.01   0.02  -0.04
     4   6     0.02   0.01  -0.00    -0.03   0.01   0.04    -0.02  -0.04  -0.03
     5   8     0.03  -0.01  -0.01     0.01  -0.03  -0.02    -0.03  -0.03   0.05
     6   6    -0.00  -0.01   0.02     0.03  -0.04  -0.03    -0.01  -0.02   0.02
     7   8     0.03  -0.01  -0.02     0.06   0.01  -0.01    -0.01  -0.04   0.01
     8   1     0.04  -0.07   0.02     0.06   0.01  -0.01     0.01   0.02  -0.02
     9   8     0.02   0.01  -0.01     0.06   0.01   0.01     0.08   0.02  -0.01
    10   1    -0.02  -0.03   0.03     0.09  -0.02  -0.02     0.05   0.05   0.01
    11   1     0.05   0.01   0.00    -0.02   0.06   0.02     0.03  -0.00  -0.04
    12   8    -0.07   0.00  -0.05    -0.05   0.02  -0.03    -0.03   0.07   0.00
    13   6     0.01   0.03   0.00    -0.05   0.00   0.03    -0.04  -0.02  -0.02
    14   1     0.02   0.01  -0.01    -0.00   0.04   0.04    -0.04  -0.11  -0.03
    15   8    -0.04  -0.01  -0.01    -0.02  -0.02   0.01    -0.08  -0.02  -0.02
    16   1    -0.00   0.00   0.02     0.03  -0.07  -0.03    -0.02  -0.00   0.02
    17   1     0.07   0.11  -0.17     0.05   0.04   0.01     0.04   0.05  -0.15
    18   1    -0.03   0.03  -0.02     0.02   0.04   0.06     0.02   0.10   0.14
    19   1     0.29   0.13   0.72     0.07   0.06   0.25    -0.01   0.05   0.18
    20   8    -0.00   0.01   0.02    -0.12   0.02  -0.06     0.01   0.01   0.02
    21   1     0.00   0.04   0.00    -0.01  -0.03   0.03    -0.08  -0.01  -0.02
    22   1     0.01   0.02  -0.01    -0.05   0.01   0.05    -0.07  -0.00  -0.00
    23   1    -0.37   0.03  -0.02    -0.03   0.01   0.01     0.85  -0.26   0.02
    24   1    -0.22   0.05  -0.32     0.38  -0.04   0.83    -0.07   0.01  -0.18
                     16                     17                     18
                      A                      A                      A
 Frequencies --    395.2623               421.7539               444.9880
 Red. masses --      2.9521                 5.5556                 5.1722
 Frc consts  --      0.2717                 0.5822                 0.6034
 IR Inten    --     51.3993                 6.2933                 4.3314
 RamAct Fr= 1--      1.3763                 4.3045                 9.3760
  Dep-P Fr= 1--      0.5896                 0.5331                 0.1442
  Dep-U Fr= 1--      0.7418                 0.6955                 0.2521
 Alpha2 Fr= 1--      0.0041                 0.0180                 0.1471
 Beta2  Fr= 1--      0.1701                 0.4990                 0.3940
 AlphaG Fr= 1--     -0.0047                 0.0056                 0.0289
 Gamma2 Fr= 1--     -0.2596                 0.3367                -0.0099
 Delta2 Fr= 1--     -0.4791                 0.0315                 0.3599
 Raman1 Fr= 1--       5.505                 17.218                 37.504
 ROA1   Fr= 1--     -40.252                 33.337                 10.570
 CID1   Fr= 1--      -7.312                  1.936                  0.282
 Raman2 Fr= 1--       2.042                  5.987                  4.728
 ROA2   Fr= 1--      -2.398                  7.830                 -3.116
 CID2   Fr= 1--      -1.174                  1.308                 -0.659
 Raman3 Fr= 1--       4.084                 11.975                  9.455
 ROA3   Fr= 1--     -40.252                 33.337                 10.570
 CID3   Fr= 1--      -9.857                  2.784                  1.118
 RC180  Fr= 1--       0.484                  0.391                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.05    -0.14   0.09  -0.07    -0.05   0.17   0.01
     2   6    -0.02   0.01  -0.13     0.08   0.12   0.02     0.05  -0.00  -0.13
     3   6    -0.05  -0.07   0.08    -0.14  -0.15  -0.12    -0.05   0.13   0.09
     4   6     0.05   0.01   0.15    -0.02  -0.14  -0.07    -0.07  -0.03   0.12
     5   8     0.03  -0.03   0.01     0.16  -0.12   0.06     0.01  -0.15  -0.01
     6   6     0.03   0.03  -0.11     0.15   0.07   0.06     0.03  -0.19  -0.08
     7   8     0.04  -0.02   0.01    -0.14   0.10   0.04    -0.07   0.24   0.00
     8   1     0.08   0.08  -0.04    -0.28   0.11  -0.06     0.02   0.29   0.02
     9   8    -0.11   0.05   0.04     0.11   0.16   0.02    -0.02  -0.00   0.04
    10   1     0.07  -0.03  -0.12     0.09   0.19   0.03     0.16  -0.06  -0.13
    11   1    -0.14   0.02   0.08    -0.17  -0.28  -0.11    -0.08   0.26   0.09
    12   8    -0.08  -0.14  -0.04    -0.12  -0.14   0.04    -0.04   0.11  -0.04
    13   6     0.12   0.08   0.02    -0.07  -0.07   0.01     0.04  -0.04  -0.05
    14   1     0.08   0.07   0.15     0.01  -0.25  -0.07    -0.16   0.04   0.12
    15   8    -0.03   0.10   0.03     0.13   0.09  -0.02     0.02  -0.20   0.03
    16   1     0.10  -0.05  -0.10     0.19   0.14   0.06     0.10  -0.33  -0.08
    17   1     0.03   0.04   0.03    -0.13   0.13  -0.01    -0.13   0.09   0.22
    18   1    -0.05   0.03   0.05     0.07   0.14  -0.10     0.07  -0.06   0.00
    19   1     0.03  -0.07   0.12    -0.08  -0.14   0.17     0.02   0.15   0.03
    20   8    -0.01  -0.01  -0.02    -0.00  -0.02  -0.01     0.13  -0.05   0.03
    21   1     0.34   0.24   0.02    -0.18  -0.18   0.01     0.18   0.10  -0.05
    22   1     0.06   0.03  -0.21    -0.05  -0.04   0.15    -0.04  -0.06  -0.22
    23   1     0.65   0.11   0.06    -0.18   0.09  -0.04    -0.14  -0.09   0.03
    24   1    -0.15   0.05  -0.07     0.06  -0.05  -0.01    -0.00  -0.05  -0.28
                     19                     20                     21
                      A                      A                      A
 Frequencies --    489.4529               572.0521               600.4180
 Red. masses --      3.8456                 3.5159                 5.1029
 Frc consts  --      0.5428                 0.6779                 1.0839
 IR Inten    --      5.4885                48.7956                 8.3154
 RamAct Fr= 1--      7.0643                 2.8680                 0.1474
  Dep-P Fr= 1--      0.0989                 0.1497                 0.7170
  Dep-U Fr= 1--      0.1800                 0.2604                 0.8352
 Alpha2 Fr= 1--      0.1240                 0.0444                 0.0001
 Beta2  Fr= 1--      0.2119                 0.1245                 0.0205
 AlphaG Fr= 1--     -0.0304                -0.0020                -0.0001
 Gamma2 Fr= 1--     -0.3415                -0.2492                 0.0468
 Delta2 Fr= 1--     -0.0073                -0.0780                 0.0639
 Raman1 Fr= 1--      28.257                 11.472                  0.589
 ROA1   Fr= 1--     -33.019                -26.419                  6.540
 CID1   Fr= 1--      -1.169                 -2.303                 11.094
 Raman2 Fr= 1--       2.542                  1.494                  0.246
 ROA2   Fr= 1--      -8.138                 -5.358                  0.612
 CID2   Fr= 1--      -3.201                 -3.586                  2.487
 Raman3 Fr= 1--       5.085                  2.988                  0.492
 ROA3   Fr= 1--     -33.019                -26.419                  6.540
 CID3   Fr= 1--      -6.494                 -8.842                 13.284
 RC180  Fr= 1--      -0.640                 -0.479                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.12    -0.04  -0.03   0.17    -0.13  -0.07  -0.03
     2   6    -0.07   0.02   0.08    -0.02  -0.14  -0.04     0.10  -0.12   0.05
     3   6    -0.05   0.02  -0.15     0.08  -0.03  -0.04    -0.20  -0.00  -0.02
     4   6     0.12   0.05   0.05     0.08   0.02  -0.15    -0.04   0.20  -0.02
     5   8     0.13  -0.08  -0.05     0.11   0.04   0.09    -0.09   0.23  -0.01
     6   6    -0.03  -0.05   0.15     0.14  -0.07  -0.08     0.01  -0.07  -0.05
     7   8    -0.01  -0.01   0.04    -0.08   0.12  -0.03     0.04   0.06  -0.00
     8   1    -0.29  -0.06  -0.11    -0.06  -0.08   0.17    -0.32  -0.19  -0.03
     9   8    -0.06   0.04  -0.03    -0.11   0.02   0.00     0.20   0.07   0.01
    10   1    -0.18   0.19   0.08    -0.01  -0.46  -0.06     0.20  -0.23   0.05
    11   1    -0.21   0.01  -0.15     0.31  -0.13  -0.04    -0.37  -0.04  -0.01
    12   8     0.07   0.09   0.03     0.04   0.02   0.01     0.01  -0.16   0.03
    13   6     0.16   0.09   0.10     0.01   0.02   0.02     0.08   0.00  -0.01
    14   1     0.31   0.02   0.06     0.10  -0.11  -0.14    -0.06   0.28  -0.02
    15   8    -0.08  -0.13  -0.03    -0.12   0.01   0.02    -0.11  -0.08   0.01
    16   1    -0.13   0.02   0.15     0.33  -0.16  -0.07     0.01  -0.16  -0.04
    17   1    -0.04   0.11   0.06    -0.06   0.01  -0.05    -0.02   0.22   0.11
    18   1    -0.08   0.01  -0.14    -0.18   0.03  -0.04    -0.03   0.15  -0.05
    19   1     0.01   0.06  -0.06    -0.01  -0.02   0.00     0.17   0.02  -0.11
    20   8    -0.06  -0.01  -0.05    -0.06   0.02  -0.01     0.09  -0.05  -0.00
    21   1     0.29   0.11   0.10    -0.21  -0.15   0.01     0.03  -0.10  -0.01
    22   1     0.19   0.05   0.01     0.12   0.04   0.24     0.22  -0.03   0.10
    23   1     0.05  -0.37  -0.03     0.23   0.05   0.03     0.05  -0.08   0.02
    24   1    -0.08   0.06   0.19    -0.04   0.04   0.11     0.06  -0.04  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    631.9681               638.5174               887.4699
 Red. masses --      3.0851                 4.0064                 2.0893
 Frc consts  --      0.7259                 0.9624                 0.9695
 IR Inten    --     26.3721                15.9304                76.0163
 RamAct Fr= 1--      0.3984                 0.2892                 3.3178
  Dep-P Fr= 1--      0.4801                 0.6307                 0.3959
  Dep-U Fr= 1--      0.6487                 0.7735                 0.5673
 Alpha2 Fr= 1--      0.0022                 0.0006                 0.0249
 Beta2  Fr= 1--      0.0431                 0.0373                 0.3137
 AlphaG Fr= 1--     -0.0033                 0.0001                -0.0461
 Gamma2 Fr= 1--      0.0161                 0.1950                -0.4770
 Delta2 Fr= 1--      0.0972                 0.0324                -0.2004
 Raman1 Fr= 1--       1.594                  1.157                 13.271
 ROA1   Fr= 1--       4.661                 19.757                -52.206
 CID1   Fr= 1--       2.924                 17.079                 -3.934
 Raman2 Fr= 1--       0.517                  0.447                  3.764
 ROA2   Fr= 1--      -0.391                  4.421                 -9.845
 CID2   Fr= 1--      -0.756                  9.882                 -2.616
 Raman3 Fr= 1--       1.034                  0.895                  7.528
 ROA3   Fr= 1--       4.661                 19.757                -52.206
 CID3   Fr= 1--       4.508                 22.078                 -6.935
 RC180  Fr= 1--       0.297                  0.547                  0.135
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.10   0.05    -0.04  -0.08  -0.05     0.01  -0.01  -0.01
     2   6     0.01  -0.12   0.09    -0.04  -0.05   0.01     0.01  -0.02  -0.01
     3   6    -0.05   0.04  -0.12    -0.12   0.12   0.08     0.05  -0.02  -0.04
     4   6    -0.02  -0.10   0.11    -0.14   0.08   0.03     0.02  -0.04   0.08
     5   8    -0.07  -0.10  -0.00     0.19  -0.06   0.00     0.03   0.14  -0.08
     6   6    -0.01   0.02  -0.13     0.14   0.02   0.08     0.10   0.01   0.06
     7   8     0.02   0.01  -0.02     0.12  -0.09  -0.01    -0.02   0.02   0.01
     8   1    -0.32  -0.31   0.04    -0.03  -0.15  -0.06    -0.04   0.00  -0.00
     9   8     0.06   0.02  -0.01    -0.12   0.03  -0.01    -0.02   0.01  -0.00
    10   1     0.04  -0.37   0.08    -0.12  -0.03   0.00    -0.01  -0.01  -0.01
    11   1    -0.12   0.10  -0.12    -0.28   0.26   0.07     0.03  -0.02  -0.03
    12   8     0.07   0.13   0.02     0.05   0.06  -0.01    -0.00  -0.01   0.01
    13   6     0.00  -0.00   0.03    -0.12  -0.09  -0.10    -0.12  -0.12   0.04
    14   1     0.11  -0.18   0.10    -0.42   0.20   0.02     0.28   0.07   0.07
    15   8     0.06   0.13   0.02    -0.04   0.08  -0.02    -0.04  -0.02  -0.00
    16   1    -0.03   0.07  -0.13     0.20   0.08   0.08     0.11  -0.04   0.06
    17   1    -0.01   0.11   0.04     0.07   0.10   0.07    -0.01  -0.02  -0.01
    18   1    -0.13   0.08  -0.09    -0.15   0.02  -0.06    -0.03   0.01  -0.01
    19   1     0.02   0.09   0.02     0.17   0.19  -0.08    -0.06  -0.07   0.05
    20   8    -0.00   0.00  -0.01     0.08  -0.04   0.03    -0.01   0.03   0.00
    21   1     0.23   0.18   0.03    -0.27  -0.21  -0.10     0.26   0.35   0.06
    22   1    -0.14  -0.02  -0.22    -0.05  -0.07   0.08    -0.40  -0.17  -0.51
    23   1     0.01   0.38   0.02     0.10  -0.04  -0.02    -0.02  -0.18  -0.00
    24   1    -0.00  -0.01  -0.07     0.15  -0.10  -0.06     0.23  -0.15  -0.20
                     25                     26                     27
                      A                      A                      A
 Frequencies --    992.4906              1014.6223              1015.5309
 Red. masses --      4.1879                 4.0706                 4.3841
 Frc consts  --      2.4305                 2.4690                 2.6639
 IR Inten    --    132.5118                47.9737                33.5996
 RamAct Fr= 1--      0.7388                 0.7741                 2.5230
  Dep-P Fr= 1--      0.3402                 0.7465                 0.6028
  Dep-U Fr= 1--      0.5077                 0.8549                 0.7521
 Alpha2 Fr= 1--      0.0067                 0.0000                 0.0069
 Beta2  Fr= 1--      0.0625                 0.1103                 0.3163
 AlphaG Fr= 1--      0.0143                 0.0019                 0.0035
 Gamma2 Fr= 1--     -0.3451                 0.0140                 0.9275
 Delta2 Fr= 1--     -0.3428                -0.0262                 0.4915
 Raman1 Fr= 1--       2.955                  3.097                 10.092
 ROA1   Fr= 1--     -44.094                  0.501                104.764
 CID1   Fr= 1--     -14.920                  0.162                 10.381
 Raman2 Fr= 1--       0.750                  1.324                  3.795
 ROA2   Fr= 1--      -5.539                  0.545                 18.328
 CID2   Fr= 1--      -7.383                  0.412                  4.829
 Raman3 Fr= 1--       1.501                  2.647                  7.591
 ROA3   Fr= 1--     -44.094                  0.501                104.764
 CID3   Fr= 1--     -29.385                  0.189                 13.802
 RC180  Fr= 1--       0.015                  0.710                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.24    -0.19  -0.04   0.03     0.18   0.07  -0.11
     2   6     0.05   0.17   0.04    -0.12   0.22   0.05     0.05   0.00   0.23
     3   6    -0.17   0.08  -0.15     0.05  -0.03   0.10     0.08   0.09  -0.12
     4   6    -0.09  -0.00  -0.05     0.12   0.03  -0.00     0.03   0.08   0.10
     5   8    -0.02  -0.01  -0.01     0.05   0.01   0.06     0.13   0.02   0.08
     6   6     0.09   0.02  -0.06     0.03   0.04  -0.20    -0.11  -0.08  -0.19
     7   8     0.10  -0.10  -0.06     0.04  -0.09  -0.05    -0.05   0.06   0.06
     8   1     0.02  -0.02   0.21    -0.21  -0.24   0.01    -0.11  -0.04  -0.10
     9   8    -0.09  -0.02  -0.05     0.06   0.01  -0.00    -0.08  -0.04  -0.06
    10   1    -0.09  -0.06   0.02    -0.10   0.25   0.05     0.03  -0.02   0.22
    11   1    -0.01  -0.07  -0.14     0.12   0.03   0.09    -0.24   0.09  -0.11
    12   8    -0.03  -0.06   0.05     0.02   0.03  -0.02    -0.05  -0.11   0.05
    13   6    -0.01   0.07   0.12    -0.01  -0.12  -0.07    -0.08  -0.04  -0.08
    14   1     0.18  -0.20  -0.05     0.08   0.07   0.00    -0.00   0.11   0.10
    15   8    -0.01  -0.07   0.02    -0.03  -0.16   0.04    -0.01  -0.04   0.01
    16   1     0.14  -0.05  -0.06     0.11   0.02  -0.19    -0.15   0.11  -0.18
    17   1     0.19  -0.32  -0.23    -0.09   0.28   0.21     0.08  -0.28  -0.20
    18   1     0.31  -0.10   0.21     0.30  -0.02   0.18    -0.18  -0.02  -0.12
    19   1     0.19   0.20  -0.15    -0.01   0.00  -0.00    -0.06  -0.13   0.06
    20   8     0.05  -0.07  -0.05    -0.07   0.08   0.04     0.00   0.00   0.01
    21   1     0.19   0.19   0.12    -0.06   0.01  -0.06    -0.13  -0.08  -0.08
    22   1    -0.02  -0.01  -0.11    -0.01  -0.13  -0.12    -0.05  -0.03  -0.00
    23   1    -0.02   0.07   0.02     0.04   0.39   0.06     0.09   0.48   0.02
    24   1     0.03  -0.05  -0.03     0.14  -0.05  -0.08     0.07  -0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1041.4286              1056.2301              1074.3271
 Red. masses --      4.7504                 3.0193                 3.4298
 Frc consts  --      3.0356                 1.9846                 2.3324
 IR Inten    --    328.2398               180.3488               248.6221
 RamAct Fr= 1--      2.7500                 2.3880                11.1560
  Dep-P Fr= 1--      0.6442                 0.1652                 0.2815
  Dep-U Fr= 1--      0.7836                 0.2835                 0.4394
 Alpha2 Fr= 1--      0.0052                 0.0355                 0.1208
 Beta2  Fr= 1--      0.3591                 0.1129                 0.8170
 AlphaG Fr= 1--      0.0190                -0.0080                -0.0427
 Gamma2 Fr= 1--     -0.9007                 1.3877                -1.4667
 Delta2 Fr= 1--     -0.5866                 1.5656                -0.7340
 Raman1 Fr= 1--      11.000                  9.552                 44.624
 ROA1   Fr= 1--    -105.241                183.321               -164.292
 CID1   Fr= 1--      -9.567                 19.192                 -3.682
 Raman2 Fr= 1--       4.310                  1.354                  9.804
 ROA2   Fr= 1--     -16.924                 20.780                -29.329
 CID2   Fr= 1--      -3.927                 15.345                 -2.992
 Raman3 Fr= 1--       8.619                  2.708                 19.607
 ROA3   Fr= 1--    -105.241                183.321               -164.292
 CID3   Fr= 1--     -12.210                 67.686                 -8.379
 RC180  Fr= 1--       0.567                 -0.433                 -0.121
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.04   0.02     0.01  -0.06  -0.01    -0.02   0.05  -0.16
     2   6    -0.10   0.07  -0.02     0.07   0.08   0.06     0.02  -0.05   0.16
     3   6     0.06  -0.16  -0.01     0.11  -0.05  -0.08     0.02   0.07   0.16
     4   6    -0.11  -0.07   0.13    -0.09   0.03   0.12     0.09  -0.07  -0.11
     5   8     0.13   0.13  -0.01    -0.14  -0.02  -0.08    -0.11  -0.02  -0.02
     6   6    -0.08  -0.04  -0.07     0.22   0.04   0.02     0.18   0.05  -0.03
     7   8    -0.01  -0.00  -0.01    -0.03   0.02   0.02    -0.01  -0.02   0.01
     8   1    -0.02  -0.04   0.02    -0.25  -0.23  -0.01     0.17   0.06  -0.16
     9   8     0.07   0.01   0.02    -0.08   0.00  -0.04    -0.04  -0.01  -0.02
    10   1    -0.09   0.11  -0.02     0.00   0.09   0.05     0.07   0.13   0.16
    11   1     0.14  -0.08  -0.02     0.01   0.07  -0.08     0.05  -0.00   0.16
    12   8     0.06   0.09  -0.04     0.02   0.00  -0.00    -0.03  -0.01  -0.01
    13   6    -0.17   0.23   0.06     0.08   0.02  -0.07    -0.07   0.11   0.07
    14   1    -0.07   0.08   0.12    -0.39   0.09   0.11     0.23  -0.15  -0.10
    15   8    -0.01  -0.03   0.00    -0.02  -0.04   0.02    -0.03  -0.06   0.02
    16   1     0.03  -0.08  -0.06     0.20  -0.00   0.01     0.14   0.20  -0.04
    17   1    -0.03   0.03   0.04    -0.01  -0.04  -0.03    -0.08   0.23   0.15
    18   1     0.12  -0.00   0.05     0.14  -0.04   0.12    -0.34   0.05  -0.19
    19   1    -0.25  -0.26   0.20    -0.27  -0.33   0.23     0.13   0.16  -0.11
    20   8     0.15  -0.19  -0.09    -0.01   0.02   0.03     0.06  -0.08  -0.05
    21   1    -0.11  -0.12   0.03    -0.02  -0.27  -0.07    -0.06   0.11   0.06
    22   1    -0.34   0.34   0.21     0.11   0.11   0.25    -0.26   0.17   0.00
    23   1     0.03   0.06   0.01    -0.04  -0.04   0.02     0.05   0.26   0.03
    24   1    -0.28   0.09   0.19    -0.16   0.11   0.09    -0.15   0.05   0.08
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1080.7876              1091.4433              1099.7991
 Red. masses --      4.3942                 2.3840                 2.9182
 Frc consts  --      3.0242                 1.6733                 2.0797
 IR Inten    --    142.3560                19.9699               168.4029
 RamAct Fr= 1--      2.0304                 4.9681                 8.8193
  Dep-P Fr= 1--      0.7423                 0.5736                 0.6418
  Dep-U Fr= 1--      0.8521                 0.7290                 0.7818
 Alpha2 Fr= 1--      0.0003                 0.0165                 0.0172
 Beta2  Fr= 1--      0.2884                 0.6037                 1.1492
 AlphaG Fr= 1--     -0.0019                 0.0173                -0.0072
 Gamma2 Fr= 1--      0.4766                -0.4163                -0.2204
 Delta2 Fr= 1--      0.2938                 0.2777                -0.5795
 Raman1 Fr= 1--       8.122                 19.872                 35.277
 ROA1   Fr= 1--      55.151                -31.081                -39.699
 CID1   Fr= 1--       6.791                 -1.564                 -1.125
 Raman2 Fr= 1--       3.460                  7.244                 13.791
 ROA2   Fr= 1--       9.087                -12.213                 -0.654
 CID2   Fr= 1--       2.626                 -1.686                 -0.047
 Raman3 Fr= 1--       6.921                 14.488                 27.581
 ROA3   Fr= 1--      55.151                -31.081                -39.699
 CID3   Fr= 1--       7.969                 -2.145                 -1.439
 RC180  Fr= 1--       0.704                  0.458                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.19   0.03     0.07   0.00  -0.04    -0.16   0.23   0.01
     2   6     0.03   0.05  -0.13    -0.10  -0.02   0.03     0.01  -0.09  -0.00
     3   6     0.13   0.15  -0.06    -0.03  -0.14  -0.01     0.16   0.05  -0.05
     4   6     0.12   0.23  -0.01    -0.09   0.18  -0.06    -0.07   0.07   0.04
     5   8    -0.07  -0.17   0.05    -0.04  -0.09   0.04     0.01  -0.03   0.00
     6   6    -0.03   0.03   0.05     0.06   0.00  -0.03    -0.03   0.04   0.03
     7   8    -0.04   0.04   0.01    -0.02   0.03   0.03     0.06  -0.12  -0.08
     8   1    -0.21  -0.30   0.03     0.19   0.13  -0.03    -0.18   0.29  -0.00
     9   8    -0.00   0.02  -0.00     0.04  -0.00   0.03     0.02  -0.01   0.02
    10   1     0.01   0.05  -0.13    -0.13   0.12   0.04     0.11  -0.25   0.00
    11   1     0.20   0.14  -0.06     0.07  -0.26  -0.02     0.42   0.00  -0.05
    12   8    -0.03  -0.10   0.06     0.04   0.06  -0.04    -0.01  -0.06   0.02
    13   6    -0.19   0.08   0.02    -0.01  -0.00   0.10    -0.00   0.00   0.02
    14   1     0.29   0.20   0.01    -0.16   0.25  -0.05    -0.13   0.07   0.04
    15   8     0.03   0.02  -0.00    -0.00  -0.02   0.00     0.00  -0.00   0.00
    16   1    -0.10  -0.04   0.05     0.09   0.11  -0.03    -0.04   0.06   0.03
    17   1    -0.10   0.18   0.12     0.06  -0.19  -0.13    -0.05   0.19   0.15
    18   1     0.32  -0.04   0.21    -0.11   0.03  -0.08    -0.34   0.06  -0.21
    19   1     0.02  -0.04   0.00    -0.12  -0.13   0.09    -0.24  -0.32   0.17
    20   8     0.07  -0.09  -0.05     0.01  -0.01  -0.02     0.01  -0.00  -0.00
    21   1    -0.16   0.19   0.01     0.09   0.34   0.10     0.06   0.04   0.02
    22   1    -0.16   0.02  -0.11     0.24  -0.22  -0.20     0.08  -0.05  -0.01
    23   1    -0.06  -0.14  -0.01     0.05   0.26   0.01     0.01  -0.04   0.00
    24   1     0.10  -0.11  -0.05     0.29  -0.19  -0.18     0.05  -0.03  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1103.8064              1132.4982              1160.3961
 Red. masses --      3.3518                 3.5096                 2.8263
 Frc consts  --      2.4061                 2.6521                 2.2423
 IR Inten    --    102.2221                 8.1133                43.8307
 RamAct Fr= 1--     11.4540                 8.1579                 3.8553
  Dep-P Fr= 1--      0.3877                 0.7380                 0.4364
  Dep-U Fr= 1--      0.5588                 0.8493                 0.6076
 Alpha2 Fr= 1--      0.0886                 0.0017                 0.0249
 Beta2  Fr= 1--      1.0667                 1.1547                 0.3904
 AlphaG Fr= 1--     -0.0188                -0.0020                -0.0103
 Gamma2 Fr= 1--      1.0270                -1.7131                 2.3238
 Delta2 Fr= 1--      0.6605                -1.0719                 1.6300
 Raman1 Fr= 1--      45.816                 32.631                 15.421
 ROA1   Fr= 1--     119.728               -198.759                275.243
 CID1   Fr= 1--       2.613                 -6.091                 17.848
 Raman2 Fr= 1--      12.800                 13.857                  4.685
 ROA2   Fr= 1--      19.364                -32.540                 42.732
 CID2   Fr= 1--       1.513                 -2.348                  9.121
 Raman3 Fr= 1--      25.600                 27.713                  9.370
 ROA3   Fr= 1--     119.728               -198.759                275.243
 CID3   Fr= 1--       4.677                 -7.172                 29.374
 RC180  Fr= 1--       0.118                  0.699                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03     0.04  -0.09  -0.05     0.04  -0.10  -0.02
     2   6     0.23   0.08   0.10    -0.19   0.03   0.01     0.10  -0.04  -0.08
     3   6     0.03  -0.05   0.09     0.10   0.21  -0.05     0.02   0.04  -0.00
     4   6    -0.08   0.00  -0.08    -0.16  -0.09  -0.05    -0.10  -0.08  -0.03
     5   8     0.02   0.03   0.04     0.03   0.04  -0.03     0.08   0.03   0.00
     6   6    -0.08  -0.18  -0.01     0.05  -0.14  -0.03    -0.08   0.23  -0.01
     7   8    -0.01  -0.01  -0.01    -0.03   0.01   0.02    -0.03   0.03   0.02
     8   1    -0.09  -0.22  -0.03     0.14  -0.13  -0.06     0.05  -0.16  -0.02
     9   8    -0.12  -0.01  -0.09     0.09   0.01   0.04    -0.04   0.01  -0.01
    10   1     0.29   0.23   0.10    -0.35   0.28   0.02     0.21  -0.18  -0.09
    11   1     0.21  -0.14   0.08     0.30   0.22  -0.05     0.05   0.07  -0.00
    12   8     0.02   0.04  -0.03    -0.05  -0.10   0.06    -0.00  -0.01   0.01
    13   6     0.03  -0.00   0.11     0.09  -0.00   0.09     0.04   0.02   0.08
    14   1    -0.13   0.10  -0.08    -0.28  -0.22  -0.07    -0.36  -0.18  -0.04
    15   8     0.03   0.11  -0.04     0.00   0.06  -0.03    -0.02  -0.14   0.04
    16   1    -0.15  -0.24  -0.01     0.23  -0.19  -0.03    -0.15   0.52  -0.01
    17   1    -0.13   0.34   0.22    -0.09   0.20   0.15    -0.09   0.18   0.12
    18   1     0.12  -0.06   0.08     0.05   0.02   0.02     0.06  -0.01   0.06
    19   1    -0.07  -0.07   0.05     0.06   0.02  -0.03    -0.02  -0.03   0.02
    20   8    -0.00   0.00  -0.02    -0.01   0.02  -0.01    -0.01  -0.00  -0.01
    21   1     0.12   0.25   0.11     0.19   0.11   0.10    -0.02   0.19   0.09
    22   1     0.13  -0.14  -0.15     0.15  -0.07  -0.03     0.25  -0.11  -0.03
    23   1    -0.01  -0.11  -0.04     0.05   0.14  -0.02     0.02   0.18   0.06
    24   1     0.13  -0.08  -0.08    -0.02   0.03   0.01     0.14  -0.10  -0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1203.1407              1231.4765              1235.7487
 Red. masses --      1.2833                 1.2258                 1.1992
 Frc consts  --      1.0945                 1.0953                 1.0790
 IR Inten    --     35.7155                29.6657                14.9894
 RamAct Fr= 1--      1.0550                 5.2747                 4.5804
  Dep-P Fr= 1--      0.6932                 0.7500                 0.5642
  Dep-U Fr= 1--      0.8188                 0.8571                 0.7214
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0161
 Beta2  Fr= 1--      0.1440                 0.7535                 0.5507
 AlphaG Fr= 1--      0.0033                -0.0005                 0.0010
 Gamma2 Fr= 1--      0.5843                -1.6706                -1.1133
 Delta2 Fr= 1--      0.9205                -0.9748                -0.3575
 Raman1 Fr= 1--       4.220                 21.099                 18.322
 ROA1   Fr= 1--      85.552               -191.574               -118.320
 CID1   Fr= 1--      20.274                 -9.080                 -6.458
 Raman2 Fr= 1--       1.728                  9.042                  6.609
 ROA2   Fr= 1--       6.660                -32.296                -23.860
 CID2   Fr= 1--       3.855                 -3.572                 -3.610
 Raman3 Fr= 1--       3.455                 18.084                 13.217
 ROA3   Fr= 1--      85.552               -191.574               -118.320
 CID3   Fr= 1--      24.760                -10.593                 -8.952
 RC180  Fr= 1--       0.638                  0.714                  0.443
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06   0.04    -0.04  -0.03   0.06     0.03   0.02  -0.01
     2   6     0.04  -0.02  -0.01     0.01   0.00  -0.02    -0.01   0.00   0.05
     3   6    -0.04  -0.01  -0.06    -0.00   0.01  -0.01    -0.04  -0.01  -0.04
     4   6    -0.04   0.05   0.05     0.05  -0.04   0.04     0.01   0.00   0.06
     5   8     0.01  -0.00   0.00    -0.01   0.02  -0.02    -0.01   0.01  -0.02
     6   6     0.00  -0.01   0.00     0.02  -0.02  -0.00     0.02  -0.00  -0.01
     7   8    -0.01   0.00  -0.01     0.02   0.01  -0.01    -0.02  -0.02  -0.00
     8   1     0.38   0.16   0.05    -0.08   0.16   0.08     0.53   0.00  -0.03
     9   8    -0.01  -0.01  -0.00     0.00  -0.02   0.01    -0.01   0.01  -0.01
    10   1     0.12   0.45   0.01     0.18   0.49   0.01    -0.10  -0.29   0.03
    11   1     0.38  -0.17  -0.07    -0.08   0.27  -0.01     0.02   0.01  -0.04
    12   8    -0.00   0.00   0.01     0.00  -0.00   0.01     0.01   0.00   0.00
    13   6     0.01  -0.03  -0.04    -0.02   0.06  -0.01    -0.02   0.04  -0.04
    14   1     0.19  -0.08   0.05    -0.03  -0.15   0.04     0.18  -0.20   0.06
    15   8    -0.01  -0.02  -0.01    -0.00   0.00  -0.01     0.00   0.01   0.00
    16   1    -0.10   0.18  -0.00    -0.05  -0.03  -0.00    -0.03  -0.11  -0.01
    17   1    -0.07   0.17   0.12     0.06  -0.14  -0.09    -0.15   0.36   0.25
    18   1    -0.17   0.02  -0.11    -0.29   0.04  -0.19     0.17  -0.02   0.11
    19   1     0.09   0.10  -0.07    -0.03  -0.05   0.03    -0.06  -0.07   0.04
    20   8     0.01   0.01   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.01
    21   1     0.22  -0.21  -0.04    -0.35   0.16  -0.01    -0.20   0.02  -0.04
    22   1    -0.16   0.07   0.03     0.34  -0.10   0.05     0.29  -0.08   0.06
    23   1     0.05   0.22   0.00     0.02   0.03  -0.00    -0.04  -0.14  -0.00
    24   1    -0.13   0.09   0.08     0.26  -0.18  -0.16     0.21  -0.15  -0.13
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1254.4963              1267.1410              1318.8448
 Red. masses --      1.1948                 1.2908                 1.2727
 Frc consts  --      1.1079                 1.2211                 1.3042
 IR Inten    --     19.8189                64.2880                42.2272
 RamAct Fr= 1--      4.5618                 2.6591                 2.2445
  Dep-P Fr= 1--      0.3150                 0.1678                 0.7456
  Dep-U Fr= 1--      0.4791                 0.2873                 0.8542
 Alpha2 Fr= 1--      0.0447                 0.0393                 0.0002
 Beta2  Fr= 1--      0.3643                 0.1273                 0.3196
 AlphaG Fr= 1--      0.0766                -0.0082                 0.0004
 Gamma2 Fr= 1--      0.4877                -1.0070                 2.0089
 Delta2 Fr= 1--     -0.6995                -0.8442                 0.5776
 Raman1 Fr= 1--      18.247                 10.636                  8.978
 ROA1   Fr= 1--      24.434               -123.685                211.335
 CID1   Fr= 1--       1.339                -11.628                 23.539
 Raman2 Fr= 1--       4.371                  1.528                  3.835
 ROA2   Fr= 1--      17.300                -17.415                 43.592
 CID2   Fr= 1--       3.958                -11.397                 11.368
 Raman3 Fr= 1--       8.743                  3.056                  7.669
 ROA3   Fr= 1--      24.434               -123.685                211.335
 CID3   Fr= 1--       2.795                -40.472                 27.556
 RC180  Fr= 1--      -0.042                 -0.425                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.04     0.01  -0.03   0.01    -0.01  -0.01  -0.03
     2   6     0.02  -0.03  -0.01    -0.05   0.07   0.03    -0.00  -0.00  -0.01
     3   6    -0.03   0.00  -0.02    -0.02   0.00  -0.03    -0.04   0.04   0.08
     4   6     0.03  -0.01  -0.07    -0.01   0.01  -0.04    -0.08   0.03  -0.03
     5   8    -0.01   0.00   0.02     0.01  -0.02   0.02     0.01  -0.00   0.00
     6   6     0.00  -0.04   0.02    -0.02   0.07  -0.05     0.00   0.01  -0.01
     7   8    -0.00  -0.01  -0.02    -0.01   0.00   0.01     0.01   0.02   0.02
     8   1     0.20   0.14   0.05     0.27  -0.06   0.00    -0.16  -0.12  -0.03
     9   8    -0.01   0.01   0.00     0.01  -0.03  -0.01     0.00   0.00   0.00
    10   1    -0.19   0.09  -0.01     0.52  -0.08   0.05     0.00  -0.00  -0.01
    11   1    -0.33   0.50  -0.03    -0.06   0.27  -0.04     0.11   0.10   0.07
    12   8     0.04  -0.01  -0.00     0.01  -0.00   0.01     0.03  -0.00  -0.02
    13   6     0.01  -0.02   0.02     0.01  -0.02   0.02    -0.02   0.01  -0.03
    14   1     0.03   0.18  -0.07    -0.02   0.13  -0.05     0.56  -0.42  -0.02
    15   8    -0.00  -0.00  -0.01     0.01   0.00   0.02     0.00  -0.00   0.00
    16   1    -0.06   0.18   0.02     0.20  -0.29  -0.03    -0.11  -0.02  -0.01
    17   1    -0.06   0.14   0.10    -0.01   0.02   0.02     0.09  -0.22  -0.14
    18   1     0.12  -0.02   0.07    -0.33   0.05  -0.20     0.01  -0.00   0.01
    19   1    -0.28  -0.36   0.23    -0.09  -0.11   0.07    -0.24  -0.31   0.19
    20   8     0.00   0.00  -0.01     0.01   0.01  -0.00    -0.00   0.01   0.02
    21   1     0.04   0.02   0.02     0.11  -0.02   0.02     0.27  -0.19  -0.03
    22   1    -0.16   0.04  -0.06    -0.12   0.02  -0.04     0.16  -0.05   0.04
    23   1     0.05   0.25  -0.00    -0.07  -0.41   0.01    -0.02  -0.04   0.00
    24   1    -0.11   0.08   0.07    -0.10   0.07   0.06     0.04  -0.02  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1324.0605              1346.3733              1364.1466
 Red. masses --      1.2235                 1.2491                 1.2509
 Frc consts  --      1.2637                 1.3341                 1.3715
 IR Inten    --     10.8097                56.4208                17.1647
 RamAct Fr= 1--      3.2607                 2.0012                 2.0528
  Dep-P Fr= 1--      0.7436                 0.7039                 0.2989
  Dep-U Fr= 1--      0.8530                 0.8262                 0.4602
 Alpha2 Fr= 1--      0.0004                 0.0016                 0.0211
 Beta2  Fr= 1--      0.4635                 0.2756                 0.1574
 AlphaG Fr= 1--      0.0007                 0.0003                 0.0039
 Gamma2 Fr= 1--      0.2568                -0.4078                -0.5784
 Delta2 Fr= 1--      0.4011                 1.0636                -0.3197
 Raman1 Fr= 1--      13.043                  8.005                  8.211
 ROA1   Fr= 1--      37.488                 -5.114                -65.760
 CID1   Fr= 1--       2.874                 -0.639                 -8.009
 Raman2 Fr= 1--       5.563                  3.307                  1.889
 ROA2   Fr= 1--       2.955                -18.296                -11.325
 CID2   Fr= 1--       0.531                 -5.533                 -5.994
 Raman3 Fr= 1--      11.125                  6.614                  3.779
 ROA3   Fr= 1--      37.488                 -5.114                -65.760
 CID3   Fr= 1--       3.370                 -0.773                -17.403
 RC180  Fr= 1--       0.706                  0.652                 -0.080
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.02    -0.07  -0.05  -0.06     0.01   0.03  -0.01
     2   6     0.01   0.02  -0.02    -0.02  -0.03   0.05     0.03  -0.00  -0.02
     3   6     0.00  -0.00   0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.02
     4   6    -0.03  -0.04   0.00    -0.00  -0.04   0.00    -0.01  -0.07  -0.02
     5   8    -0.02  -0.01  -0.02    -0.00   0.00  -0.00    -0.00  -0.00   0.04
     6   6    -0.07  -0.02   0.07    -0.02  -0.01   0.00     0.04   0.02  -0.05
     7   8    -0.01  -0.01  -0.00     0.02   0.02   0.01    -0.00   0.00   0.01
     8   1    -0.07  -0.27   0.00     0.07   0.42  -0.03    -0.01  -0.26  -0.03
     9   8     0.00  -0.01   0.00    -0.01   0.03  -0.03     0.00  -0.01   0.02
    10   1     0.10   0.00  -0.01     0.20  -0.12   0.06    -0.35   0.08  -0.05
    11   1    -0.05  -0.05   0.00     0.42   0.34  -0.03     0.22   0.21  -0.03
    12   8    -0.00   0.00  -0.00    -0.01  -0.00   0.02    -0.01   0.00   0.02
    13   6    -0.01   0.03  -0.03     0.00   0.02  -0.01    -0.01   0.05  -0.02
    14   1     0.33   0.33  -0.00     0.05   0.26  -0.00     0.05   0.53  -0.03
    15   8     0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00   0.00   0.01
    16   1     0.68   0.10   0.09     0.22   0.13   0.01    -0.34  -0.02  -0.06
    17   1    -0.05   0.12   0.08     0.11  -0.26  -0.17    -0.00   0.01   0.00
    18   1    -0.09   0.01  -0.06     0.37  -0.05   0.22    -0.15   0.02  -0.09
    19   1     0.01   0.02  -0.01     0.06   0.07  -0.05     0.07   0.09  -0.05
    20   8    -0.01   0.00   0.01    -0.01  -0.00   0.00    -0.02  -0.01   0.02
    21   1     0.04  -0.09  -0.03     0.00  -0.03  -0.01     0.26  -0.18  -0.02
    22   1     0.18  -0.03   0.05     0.05   0.00   0.02     0.04   0.07   0.08
    23   1     0.09   0.29  -0.00    -0.01  -0.02   0.01    -0.04  -0.19   0.00
    24   1     0.10  -0.07  -0.06     0.05  -0.04  -0.03     0.21  -0.16  -0.13
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.1466              1383.7204              1397.5560
 Red. masses --      1.2765                 1.2842                 1.3175
 Frc consts  --      1.4139                 1.4487                 1.5161
 IR Inten    --      3.4623                24.4296                 5.6600
 RamAct Fr= 1--      3.7458                 6.7648                 4.6693
  Dep-P Fr= 1--      0.5507                 0.7047                 0.7493
  Dep-U Fr= 1--      0.7102                 0.8268                 0.8567
 Alpha2 Fr= 1--      0.0143                 0.0053                 0.0001
 Beta2  Fr= 1--      0.4434                 0.9322                 0.6667
 AlphaG Fr= 1--     -0.0165                 0.0289                -0.0018
 Gamma2 Fr= 1--     -0.0526                -0.1509                 0.4952
 Delta2 Fr= 1--     -0.0388                -1.4927                -1.5465
 Raman1 Fr= 1--      14.983                 27.059                 18.677
 ROA1   Fr= 1--      -6.294                -62.253                 -1.951
 CID1   Fr= 1--      -0.420                 -2.301                 -0.104
 Raman2 Fr= 1--       5.321                 11.186                  8.001
 ROA2   Fr= 1--      -0.952                  8.320                 24.257
 CID2   Fr= 1--      -0.179                  0.744                  3.032
 Raman3 Fr= 1--      10.641                 22.372                 16.001
 ROA3   Fr= 1--      -6.294                -62.253                 -1.951
 CID3   Fr= 1--      -0.591                 -2.783                 -0.122
 RC180  Fr= 1--       0.420                  0.654                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05   0.04    -0.01  -0.01   0.00     0.01   0.03  -0.00
     2   6    -0.02  -0.04   0.03    -0.04   0.06  -0.01     0.04  -0.07   0.02
     3   6     0.06   0.04   0.00     0.02  -0.02  -0.00    -0.05  -0.00   0.01
     4   6    -0.03  -0.02  -0.03     0.03   0.02  -0.02     0.07   0.05  -0.01
     5   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.01  -0.02
     6   6     0.01   0.02  -0.05     0.02  -0.05   0.08    -0.07   0.04  -0.03
     7   8    -0.01  -0.01  -0.03     0.00  -0.00   0.00     0.00   0.00   0.00
     8   1    -0.16   0.52   0.09     0.07  -0.00  -0.00    -0.02  -0.11  -0.01
     9   8    -0.00   0.01  -0.01     0.00  -0.00  -0.01    -0.00   0.01  -0.00
    10   1     0.06   0.17   0.05     0.37  -0.30  -0.00    -0.24   0.30   0.02
    11   1    -0.46  -0.30   0.03    -0.11   0.08  -0.01     0.15   0.06  -0.00
    12   8    -0.00   0.00  -0.01    -0.01   0.00   0.00     0.01  -0.00  -0.00
    13   6    -0.02   0.04  -0.01    -0.01   0.05  -0.01     0.01   0.02   0.00
    14   1     0.07   0.11  -0.03    -0.23  -0.17  -0.02    -0.36  -0.32  -0.01
    15   8     0.00   0.01   0.02    -0.00  -0.01  -0.04     0.00   0.00   0.01
    16   1     0.05   0.04  -0.05    -0.23  -0.04   0.07     0.45  -0.16  -0.02
    17   1    -0.07   0.16   0.11     0.01  -0.02  -0.01    -0.00   0.00   0.00
    18   1     0.13  -0.01   0.08    -0.03   0.01  -0.02     0.09  -0.01   0.05
    19   1     0.01   0.02  -0.01     0.04   0.05  -0.03    -0.07  -0.09   0.05
    20   8    -0.01  -0.00   0.02    -0.03  -0.02   0.03    -0.03  -0.02   0.02
    21   1     0.33  -0.18  -0.01     0.37  -0.20  -0.01     0.18  -0.07   0.00
    22   1     0.07   0.02   0.07    -0.18   0.18   0.11    -0.31   0.20   0.07
    23   1    -0.06  -0.24   0.01     0.08   0.38  -0.02    -0.02  -0.14   0.00
    24   1     0.14  -0.10  -0.08     0.29  -0.23  -0.18     0.23  -0.18  -0.13
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1417.3140              1425.7735              1435.0737
 Red. masses --      1.5134                 1.4777                 1.3875
 Frc consts  --      1.7912                 1.7699                 1.6835
 IR Inten    --     11.7913                43.0301                 9.3095
 RamAct Fr= 1--      6.8533                 4.5529                 2.8582
  Dep-P Fr= 1--      0.7480                 0.6555                 0.2811
  Dep-U Fr= 1--      0.8559                 0.7919                 0.4388
 Alpha2 Fr= 1--      0.0002                 0.0077                 0.0310
 Beta2  Fr= 1--      0.9776                 0.6009                 0.2090
 AlphaG Fr= 1--     -0.0017                -0.0178                -0.0235
 Gamma2 Fr= 1--      1.1281                -1.2201                 0.2124
 Delta2 Fr= 1--      1.3142                -0.2185                 0.3705
 Raman1 Fr= 1--      27.413                 18.212                 11.433
 ROA1   Fr= 1--     150.348               -124.122                 32.248
 CID1   Fr= 1--       5.485                 -6.816                  2.821
 Raman2 Fr= 1--      11.731                  7.211                  2.508
 ROA2   Fr= 1--      16.560                -27.534                  2.134
 CID2   Fr= 1--       1.412                 -3.818                  0.851
 Raman3 Fr= 1--      23.462                 14.422                  5.017
 ROA3   Fr= 1--     150.348               -124.122                 32.248
 CID3   Fr= 1--       6.408                 -8.606                  6.428
 RC180  Fr= 1--       0.712                  0.584                 -0.122
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.06   0.01     0.08   0.06   0.01    -0.10   0.04   0.01
     2   6    -0.10  -0.07  -0.01    -0.05  -0.06   0.00    -0.02  -0.05  -0.01
     3   6    -0.08   0.05   0.00    -0.01  -0.09  -0.00     0.02   0.07  -0.01
     4   6     0.00  -0.03   0.01     0.03   0.02  -0.00     0.06  -0.04   0.00
     5   8     0.00   0.00   0.01    -0.00   0.00  -0.01    -0.00   0.01  -0.00
     6   6     0.04  -0.01   0.00     0.01   0.01   0.00     0.00  -0.02  -0.01
     7   8    -0.01  -0.01  -0.01    -0.02  -0.02  -0.02     0.02   0.01   0.03
     8   1    -0.24  -0.21   0.01    -0.29  -0.11   0.01     0.45  -0.40  -0.05
     9   8    -0.00   0.02  -0.03    -0.00   0.01  -0.01    -0.00   0.02  -0.01
    10   1     0.51   0.21   0.05     0.22   0.17   0.03     0.17   0.18   0.01
    11   1     0.21  -0.21   0.01     0.08   0.40  -0.03    -0.16  -0.31   0.01
    12   8     0.02  -0.01  -0.01    -0.02   0.01   0.02     0.01  -0.01  -0.01
    13   6     0.07  -0.00  -0.01    -0.10  -0.01   0.00    -0.07   0.01   0.00
    14   1     0.07   0.21   0.01    -0.13  -0.17   0.00    -0.23   0.11  -0.00
    15   8    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.00   0.01   0.01
    16   1    -0.24   0.08  -0.01    -0.06  -0.09   0.00    -0.01   0.19  -0.02
    17   1    -0.05   0.12   0.09    -0.09   0.20   0.13     0.10  -0.23  -0.15
    18   1     0.23  -0.03   0.14     0.14  -0.02   0.09     0.15  -0.02   0.09
    19   1    -0.13  -0.17   0.10     0.13   0.17  -0.10    -0.08  -0.11   0.07
    20   8    -0.02  -0.01   0.00     0.03   0.02  -0.01     0.01   0.01  -0.00
    21   1    -0.29   0.07  -0.01     0.33  -0.07   0.01     0.25  -0.04   0.00
    22   1    -0.24   0.15   0.00     0.37  -0.25  -0.03     0.25  -0.14   0.03
    23   1    -0.01  -0.03  -0.00     0.00   0.03  -0.00    -0.02  -0.08   0.01
    24   1     0.11  -0.09  -0.07    -0.22   0.18   0.13    -0.09   0.08   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1439.2293              1446.1084              1495.5429
 Red. masses --      1.2955                 1.7373                 1.0879
 Frc consts  --      1.5811                 2.1406                 1.4336
 IR Inten    --     43.0583                36.2081                 3.1382
 RamAct Fr= 1--      1.1449                 5.6091                 6.8247
  Dep-P Fr= 1--      0.4196                 0.7163                 0.7494
  Dep-U Fr= 1--      0.5912                 0.8347                 0.8567
 Alpha2 Fr= 1--      0.0079                 0.0033                 0.0001
 Beta2  Fr= 1--      0.1128                 0.7803                 0.9745
 AlphaG Fr= 1--      0.0336                -0.0034                 0.0011
 Gamma2 Fr= 1--      0.0102                 1.0536                 0.4320
 Delta2 Fr= 1--     -0.0157                -0.0434                 0.4736
 Raman1 Fr= 1--       4.580                 22.436                 27.299
 ROA1   Fr= 1--       0.471                 99.757                 56.624
 CID1   Fr= 1--       0.103                  4.446                  2.074
 Raman2 Fr= 1--       1.354                  9.364                 11.694
 ROA2   Fr= 1--       0.369                 25.634                  6.579
 CID2   Fr= 1--       0.273                  2.738                  0.563
 Raman3 Fr= 1--       2.707                 18.727                 23.388
 ROA3   Fr= 1--       0.471                 99.757                 56.624
 CID3   Fr= 1--       0.174                  5.327                  2.421
 RC180  Fr= 1--       0.182                  0.669                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03   0.01    -0.07   0.05   0.00     0.00   0.00   0.00
     2   6    -0.02   0.03  -0.02    -0.01  -0.09   0.01    -0.00  -0.00  -0.00
     3   6     0.04  -0.05   0.00     0.13  -0.07  -0.01     0.00  -0.00   0.00
     4   6    -0.02   0.05  -0.00    -0.11   0.03  -0.01    -0.01  -0.00  -0.00
     5   8    -0.00   0.00  -0.01     0.02  -0.01   0.01     0.00   0.00   0.00
     6   6     0.01  -0.10  -0.04     0.00   0.06   0.00     0.00   0.00   0.00
     7   8    -0.00  -0.01   0.00     0.00   0.01   0.02    -0.00  -0.00  -0.00
     8   1    -0.01  -0.15  -0.01     0.26  -0.28  -0.03    -0.00   0.00   0.00
     9   8     0.01  -0.01   0.00    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    10   1     0.06  -0.04  -0.02     0.10   0.27   0.03     0.00   0.00   0.00
    11   1    -0.09   0.20  -0.00    -0.37   0.23  -0.00    -0.01   0.02  -0.00
    12   8    -0.01   0.00   0.01    -0.03   0.00   0.02    -0.00   0.00   0.00
    13   6     0.02  -0.00   0.00     0.07   0.00   0.00    -0.02  -0.06  -0.05
    14   1     0.05  -0.21  -0.01     0.33  -0.06  -0.01     0.08   0.02  -0.00
    15   8     0.00   0.03   0.05    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.10   0.79  -0.08    -0.07  -0.32   0.01    -0.01  -0.02   0.00
    17   1    -0.01   0.03   0.01     0.04  -0.10  -0.07    -0.00   0.00   0.00
    18   1    -0.05   0.01  -0.03     0.21  -0.02   0.12     0.00  -0.00   0.00
    19   1     0.08   0.11  -0.07     0.18   0.24  -0.15     0.01   0.01  -0.01
    20   8    -0.01  -0.01   0.00    -0.01  -0.01   0.00     0.00  -0.01  -0.01
    21   1    -0.03   0.01  -0.00    -0.20   0.01  -0.00     0.22   0.66  -0.01
    22   1    -0.12   0.08   0.01    -0.19   0.12  -0.04     0.01   0.19   0.68
    23   1    -0.08  -0.38   0.03     0.01   0.08  -0.01     0.00   0.01  -0.00
    24   1     0.07  -0.05  -0.04     0.08  -0.06  -0.05    -0.02   0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   2990.9439              2991.9423              2996.3913
 Red. masses --      1.0809                 1.0803                 1.0809
 Frc consts  --      5.6971                 5.6976                 5.7180
 IR Inten    --      2.3858                 5.4016                 8.3265
 RamAct Fr= 1--     45.4391               332.5257               197.7462
  Dep-P Fr= 1--      0.1544                 0.1618                 0.1441
  Dep-U Fr= 1--      0.2676                 0.2785                 0.2519
 Alpha2 Fr= 1--      0.6945                 4.9886                 3.1031
 Beta2  Fr= 1--      2.0263                15.4338                 8.3012
 AlphaG Fr= 1--      0.3074                 0.2412                 1.0779
 Gamma2 Fr= 1--     11.8471                 2.3915                -8.4647
 Delta2 Fr= 1--     10.1415                 2.5721               -18.0152
 Raman1 Fr= 1--     181.756               1330.103                790.985
 ROA1   Fr= 1--    1461.843                311.888              -1389.100
 CID1   Fr= 1--       8.043                  0.234                 -1.756
 Raman2 Fr= 1--      24.316                185.205                 99.615
 ROA2   Fr= 1--     203.198                 36.818                -59.032
 CID2   Fr= 1--       8.357                  0.199                 -0.593
 Raman3 Fr= 1--      48.632                370.411                199.229
 ROA3   Fr= 1--    1461.843                311.888              -1389.100
 CID3   Fr= 1--      30.059                  0.842                 -6.972
 RC180  Fr= 1--      -0.465                 -0.443                 -0.496
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.01  -0.06    -0.00   0.00  -0.01
     2   6     0.00   0.00  -0.04    -0.00  -0.00   0.03     0.00   0.00  -0.05
     3   6     0.00   0.00   0.04     0.00   0.00   0.04     0.00   0.00   0.02
     4   6    -0.00  -0.00  -0.05     0.00  -0.00  -0.01     0.00   0.00   0.05
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.00   0.00   0.01     0.00  -0.00   0.00    -0.00   0.00   0.01
     7   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   1    -0.01   0.01  -0.17     0.03  -0.05   0.72     0.00  -0.01   0.16
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.03  -0.02   0.50     0.02   0.02  -0.41    -0.04  -0.03   0.61
    11   1    -0.02  -0.02  -0.51    -0.01  -0.02  -0.54    -0.01  -0.01  -0.29
    12   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00  -0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.03
    14   1    -0.01   0.00   0.64    -0.00   0.00   0.09     0.01  -0.00  -0.56
    15   8     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    16   1     0.01  -0.00  -0.09     0.00   0.00   0.00    -0.00  -0.00  -0.13
    17   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    19   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   1     0.00   0.01  -0.19    -0.00  -0.00   0.06    -0.01  -0.02   0.41
    22   1    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.03   0.05  -0.03
    23   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3005.4325              3012.7587              3026.9229
 Red. masses --      1.0780                 1.0805                 1.0859
 Frc consts  --      5.7372                 5.7782                 5.8618
 IR Inten    --      6.9245               206.2102               131.0043
 RamAct Fr= 1--     14.1955                53.3646                92.9935
  Dep-P Fr= 1--      0.1232                 0.1439                 0.1809
  Dep-U Fr= 1--      0.2194                 0.2516                 0.3064
 Alpha2 Fr= 1--      0.2347                 0.8377                 1.3278
 Beta2  Fr= 1--      0.5191                 2.2382                 4.7490
 AlphaG Fr= 1--     -0.0669                -0.5835                -1.1132
 Gamma2 Fr= 1--     -9.7728                 2.0273                -2.0447
 Delta2 Fr= 1--     -5.2065                 3.7242                 3.6868
 Raman1 Fr= 1--      56.782                213.458                371.974
 ROA1   Fr= 1--   -1104.794                313.798                -78.315
 CID1   Fr= 1--     -19.457                  1.470                 -0.211
 Raman2 Fr= 1--       6.229                 26.858                 56.988
 ROA2   Fr= 1--    -192.894                 18.863                -78.567
 CID2   Fr= 1--     -30.967                  0.702                 -1.379
 Raman3 Fr= 1--      12.458                 53.716                113.976
 ROA3   Fr= 1--   -1104.794                313.798                -78.315
 CID3   Fr= 1--     -88.682                  5.842                 -0.687
 RC180  Fr= 1--      -0.561                 -0.497                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.04    -0.00   0.00  -0.03    -0.00   0.00  -0.02
     2   6    -0.00  -0.00   0.03     0.00   0.00  -0.01     0.00   0.00  -0.02
     3   6     0.00   0.00   0.03    -0.00  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6     0.00   0.00  -0.01     0.00  -0.00  -0.04     0.00   0.00  -0.01
     5   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.02    -0.00   0.00   0.02     0.00  -0.00  -0.08
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.02   0.04  -0.51     0.02  -0.03   0.35     0.01  -0.02   0.18
     9   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.02   0.02  -0.34    -0.01  -0.01   0.17    -0.02  -0.01   0.23
    11   1    -0.01  -0.01  -0.32     0.01   0.02   0.49     0.00   0.00   0.08
    12   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    13   6    -0.01  -0.01  -0.05    -0.01  -0.01  -0.04    -0.00  -0.00   0.00
    14   1     0.00  -0.00   0.10    -0.01   0.01   0.49    -0.00  -0.00   0.06
    15   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    16   1    -0.00   0.01   0.20     0.01  -0.00  -0.19    -0.03   0.03   0.94
    17   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    20   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.01  -0.03   0.67    -0.00  -0.02   0.55     0.00   0.00   0.00
    22   1     0.06   0.13  -0.05     0.06   0.12  -0.05     0.00   0.01  -0.00
    23   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.02
    24   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3119.2405              3744.3213              3768.0679
 Red. masses --      1.0935                 1.0656                 1.0657
 Frc consts  --      6.2684                 8.8018                 8.9150
 IR Inten    --     23.8574                64.8298                72.8784
 RamAct Fr= 1--    108.1681                98.1122                58.6344
  Dep-P Fr= 1--      0.3133                 0.1516                 0.0892
  Dep-U Fr= 1--      0.4771                 0.2632                 0.1638
 Alpha2 Fr= 1--      1.0657                 1.5107                 1.0540
 Beta2  Fr= 1--      8.6017                 4.3045                 1.6009
 AlphaG Fr= 1--      0.5048                -0.2064                 0.0827
 Gamma2 Fr= 1--      3.0367                -1.3515                 1.7961
 Delta2 Fr= 1--      3.4869                -0.5103                 0.1631
 Raman1 Fr= 1--     432.672                392.449                234.538
 ROA1   Fr= 1--     403.100               -146.074                177.647
 CID1   Fr= 1--       0.932                 -0.372                  0.757
 Raman2 Fr= 1--     103.220                 51.654                 19.211
 ROA2   Fr= 1--      44.984                -28.353                 41.803
 CID2   Fr= 1--       0.436                 -0.549                  2.176
 Raman3 Fr= 1--     206.440                103.307                 38.421
 ROA3   Fr= 1--     403.100               -146.074                177.647
 CID3   Fr= 1--       1.953                 -1.414                  4.624
 RC180  Fr= 1--      -0.046                 -0.474                 -0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   8    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    11   1     0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    12   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.04  -0.07   0.04     0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.04    -0.00  -0.00   0.00     0.00  -0.00   0.00
    15   8    -0.00  -0.00  -0.00     0.00   0.00  -0.06     0.00   0.00  -0.00
    16   1    -0.00  -0.00  -0.00    -0.00   0.00   0.02     0.00   0.00   0.00
    17   1    -0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00   0.00
    18   1     0.00  -0.00   0.00    -0.01  -0.02   0.01     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.06   0.06   0.02
    20   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03  -0.05   0.01
    21   1    -0.01  -0.00  -0.19     0.00   0.00  -0.00    -0.00   0.00   0.00
    22   1     0.41   0.84  -0.29    -0.00  -0.00  -0.00     0.01   0.01  -0.01
    23   1     0.00   0.00   0.00    -0.05  -0.03   1.00    -0.00  -0.00   0.00
    24   1    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.44   0.87  -0.20
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3769.6213              3786.3090              3787.5503
 Red. masses --      1.0660                 1.0661                 1.0660
 Frc consts  --      8.9248                 9.0049                 9.0104
 IR Inten    --     76.9539                57.2386               112.8385
 RamAct Fr= 1--    115.3003                59.3329               180.8992
  Dep-P Fr= 1--      0.1448                 0.4869                 0.1011
  Dep-U Fr= 1--      0.2530                 0.6549                 0.1837
 Alpha2 Fr= 1--      1.8058                 0.3111                 3.1584
 Beta2  Fr= 1--      4.8625                 6.4765                 5.5388
 AlphaG Fr= 1--     -0.4338                 0.3023                -0.2673
 Gamma2 Fr= 1--     -3.5916                19.7052               -17.3022
 Delta2 Fr= 1--      0.0600                 7.4908                -6.6657
 Raman1 Fr= 1--     461.201                237.332                723.597
 ROA1   Fr= 1--    -342.876               2131.404              -1874.313
 CID1   Fr= 1--      -0.743                  8.981                 -2.590
 Raman2 Fr= 1--      58.350                 77.718                 66.465
 ROA2   Fr= 1--     -86.679                412.999               -361.927
 CID2   Fr= 1--      -1.485                  5.314                 -5.445
 Raman3 Fr= 1--     116.701                155.435                132.930
 ROA3   Fr= 1--    -342.876               2131.404              -1874.313
 CID3   Fr= 1--      -2.938                 13.712                -14.100
 RC180  Fr= 1--      -0.494                  0.310                 -0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00  -0.00    -0.05  -0.00  -0.02    -0.03  -0.00  -0.01
     8   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   8     0.00   0.00   0.00     0.01   0.03  -0.01    -0.02  -0.05   0.02
    10   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   8     0.04  -0.05  -0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    15   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    16   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1     0.01  -0.00   0.00     0.83   0.09   0.29     0.44   0.05   0.15
    18   1     0.00   0.00  -0.00    -0.18  -0.41   0.14     0.33   0.77  -0.27
    19   1    -0.66   0.72   0.19     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    20   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
    24   1    -0.04  -0.07   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  8 and mass  15.99491
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  8 and mass  15.99491
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  8 and mass  15.99491
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Molecular mass:   180.06339 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1549.139602284.376163664.39194
           X            0.99994   0.01109   0.00228
           Y           -0.01108   0.99993  -0.00321
           Z           -0.00231   0.00318   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.05591     0.03792     0.02364
 Rotational constants (GHZ):           1.16500     0.79004     0.49251
 Zero-point vibrational energy     514177.8 (Joules/Mol)
                                  122.89144 (Kcal/Mol)
 Warning -- explicit consideration of  21 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     99.89   141.00   160.77   208.57   263.49
          (Kelvin)            282.08   342.57   401.39   415.87   444.84
                              454.03   468.31   490.40   535.34   560.48
                              568.69   606.81   640.24   704.21   823.06
                              863.87   909.26   918.68  1276.87  1427.97
                             1459.82  1461.12  1498.38  1519.68  1545.72
                             1555.01  1570.34  1582.37  1588.13  1629.41
                             1669.55  1731.05  1771.82  1777.97  1804.94
                             1823.13  1897.52  1905.03  1937.13  1962.70
                             1972.77  1990.87  2010.77  2039.20  2051.37
                             2064.75  2070.73  2080.63  2151.75  4303.30
                             4304.74  4311.14  4324.15  4334.69  4355.07
                             4487.89  5387.24  5421.41  5423.64  5447.65
                             5449.44
 
 Zero-point correction=                           0.195840 (Hartree/Particle)
 Thermal correction to Energy=                    0.208627
 Thermal correction to Enthalpy=                  0.209571
 Thermal correction to Gibbs Free Energy=         0.157719
 Sum of electronic and zero-point Energies=           -687.328624
 Sum of electronic and thermal Energies=              -687.315837
 Sum of electronic and thermal Enthalpies=            -687.314893
 Sum of electronic and thermal Free Energies=         -687.366745
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  130.916             48.277            109.132
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.471
 Rotational               0.889              2.981             30.940
 Vibrational            129.138             42.315             36.722
 Vibration     1          0.598              1.969              4.169
 Vibration     2          0.603              1.951              3.494
 Vibration     3          0.607              1.940              3.238
 Vibration     4          0.616              1.908              2.737
 Vibration     5          0.631              1.863              2.296
 Vibration     6          0.636              1.845              2.170
 Vibration     7          0.656              1.782              1.817
 Vibration     8          0.679              1.712              1.540
 Vibration     9          0.686              1.694              1.480
 Vibration    10          0.699              1.656              1.367
 Vibration    11          0.703              1.644              1.333
 Vibration    12          0.710              1.625              1.282
 Vibration    13          0.720              1.594              1.208
 Vibration    14          0.744              1.529              1.071
 Vibration    15          0.757              1.493              1.002
 Vibration    16          0.762              1.480              0.980
 Vibration    17          0.784              1.423              0.886
 Vibration    18          0.804              1.372              0.811
 Vibration    19          0.845              1.273              0.685
 Vibration    20          0.928              1.092              0.500
 Vibration    21          0.959              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.284644D-72        -72.545698       -167.042643
 Total V=0       0.342259D+18         17.534354         40.374343
 Vib (Bot)       0.232506D-86        -86.633566       -199.481157
 Vib (Bot)    1  0.297080D+01          0.472874          1.088832
 Vib (Bot)    2  0.209498D+01          0.321181          0.739546
 Vib (Bot)    3  0.183218D+01          0.262969          0.605508
 Vib (Bot)    4  0.140075D+01          0.146361          0.337008
 Vib (Bot)    5  0.109555D+01          0.039632          0.091255
 Vib (Bot)    6  0.101854D+01          0.007978          0.018369
 Vib (Bot)    7  0.824231D+00         -0.083951         -0.193304
 Vib (Bot)    8  0.689521D+00         -0.161453         -0.371758
 Vib (Bot)    9  0.661955D+00         -0.179171         -0.412557
 Vib (Bot)   10  0.611879D+00         -0.213334         -0.491221
 Vib (Bot)   11  0.597266D+00         -0.223832         -0.515393
 Vib (Bot)   12  0.575626D+00         -0.239860         -0.552298
 Vib (Bot)   13  0.544491D+00         -0.264009         -0.607903
 Vib (Bot)   14  0.488600D+00         -0.311047         -0.716212
 Vib (Bot)   15  0.461013D+00         -0.336287         -0.774330
 Vib (Bot)   16  0.452489D+00         -0.344392         -0.792991
 Vib (Bot)   17  0.415772D+00         -0.381145         -0.877618
 Vib (Bot)   18  0.386938D+00         -0.412359         -0.949492
 Vib (Bot)   19  0.338919D+00         -0.469904         -1.081995
 Vib (Bot)   20  0.268495D+00         -0.571064         -1.314924
 Vib (Bot)   21  0.248586D+00         -0.604524         -1.391968
 Vib (V=0)       0.279567D+04          3.446487          7.935829
 Vib (V=0)    1  0.351258D+01          0.545627          1.256352
 Vib (V=0)    2  0.265382D+01          0.423872          0.976002
 Vib (V=0)    3  0.239918D+01          0.380063          0.875128
 Vib (V=0)    4  0.198731D+01          0.298266          0.686783
 Vib (V=0)    5  0.170425D+01          0.231534          0.533127
 Vib (V=0)    6  0.163465D+01          0.213424          0.491426
 Vib (V=0)    7  0.146403D+01          0.165550          0.381194
 Vib (V=0)    8  0.135173D+01          0.130889          0.301383
 Vib (V=0)    9  0.132957D+01          0.123711          0.284855
 Vib (V=0)   10  0.129019D+01          0.110653          0.254787
 Vib (V=0)   11  0.127893D+01          0.106846          0.246021
 Vib (V=0)   12  0.126246D+01          0.101218          0.233062
 Vib (V=0)   13  0.123924D+01          0.093154          0.214496
 Vib (V=0)   14  0.119909D+01          0.078852          0.181565
 Vib (V=0)   15  0.118010D+01          0.071918          0.165597
 Vib (V=0)   16  0.117435D+01          0.069797          0.160714
 Vib (V=0)   17  0.115028D+01          0.060804          0.140007
 Vib (V=0)   18  0.113223D+01          0.053936          0.124193
 Vib (V=0)   19  0.110404D+01          0.042985          0.098977
 Vib (V=0)   20  0.106753D+01          0.028380          0.065347
 Vib (V=0)   21  0.105839D+01          0.024644          0.056745
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.949712D+08          7.977592         18.369084
 Rotational      0.128907D+07          6.110276         14.069430
 
                                                          ROA calculations.
                                                             IR Spectrum
 
   33333                  3333222                                     11111111111111111111111111111                                  
   77777                  1000999                                     444444333333322222111100000009   8    666544433333332221111    
   88764                  1210999                                     943321987642165330630098754119   8    33078429974210873984196  
   86084                  9735621                                     669567841464974613024011461652   7    92029525021569998635289  
 
   XXXXX                  XXXXXXX                                     XXXXXXXXXXXXXXXXXXXXXXXXXXXXXX   X    XXXXXXXXXXXXXXXXXXXXXXX  
   XXXXX                   XX                                          XX X     X XX  XXX XX XXXXXXX   X     X X   XXXXXXXXXXX       
   XXXXX                   XX                                           X X     X XX    X XX XXXX XX   X       X   XXXXXXXXXXX       
   X XXX                   XX                                                      X      XX XXXX  X   X            XX XXX  XX       
   X X                     XX                                                             XX XXXX  X   X            XX XXX   X       
   X                       XX                                                             XX XXXX  X                XX XXX           
   X                       XX                                                              X XXXX  X                 X X X           
                           XX                                                              X XXXX  X                 X   X           
                            X                                                              X XXXX                    X   X           
                            X                                                              X  XXX                    X   X           
                            X                                                                 XXX                    X               
                            X                                                                 X X                    X               
                            X                                                                 X X                    X               
                                                                                              X X                                    
                                                                                              X X                                    
                                                                                                X                                    
                                                                                                X                                    
                                                                                                X                                    
                                                                                                X                                    
                                                                                                X                                    
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002641    0.000000886   -0.000001485
      2        6          -0.000000878    0.000003407   -0.000001744
      3        6           0.000000830   -0.000000357   -0.000001812
      4        6           0.000001106   -0.000002205    0.000001319
      5        8          -0.000002430   -0.000001078    0.000001980
      6        6          -0.000002325    0.000000301    0.000003918
      7        8           0.000003160    0.000003839   -0.000003699
      8        1           0.000002035   -0.000000228   -0.000002328
      9        8          -0.000000819    0.000002989   -0.000000008
     10        1          -0.000001366    0.000004343    0.000000769
     11        1           0.000001093    0.000001631   -0.000001511
     12        8           0.000004790   -0.000001993   -0.000004640
     13        6          -0.000001191   -0.000003210    0.000002284
     14        1           0.000000778   -0.000004058    0.000000057
     15        8          -0.000004517    0.000002130    0.000003058
     16        1          -0.000001978   -0.000001313    0.000001215
     17        1           0.000003065    0.000004489   -0.000004375
     18        1          -0.000002131    0.000006114    0.000000424
     19        1           0.000004832   -0.000000151   -0.000003936
     20        8          -0.000000869   -0.000006980    0.000002508
     21        1          -0.000000339   -0.000002357    0.000000121
     22        1           0.000001972   -0.000005115   -0.000000438
     23        1          -0.000004813    0.000003464    0.000004167
     24        1          -0.000002646   -0.000004549    0.000004156
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000006980 RMS     0.000002879
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121817D+03  0.168036D+01  0.305223D-03
      2   0.168036D+01  0.117067D+03 -0.400086D+00
      3   0.305223D-03 -0.400086D+00  0.973668D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.359461D+00 -0.369059D+01 -0.340171D+01
      2  -0.274838D+01  0.140531D+01  0.734616D+01
      3   0.118159D+02 -0.134937D+02 -0.276617D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.316219D+02 -0.180671D+02 -0.889771D+01
      2  -0.261560D+02  0.198456D+02  0.567647D+01
      3  -0.546586D+01 -0.177854D+01  0.322124D+01
      4   0.285251D+00 -0.608596D+01  0.785815D+00
      5  -0.524051D+01  0.112329D+01  0.124344D+02
      6  -0.420105D+01  0.577849D+01  0.518444D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.282401D+01 -0.271509D+01 -0.119797D+01 -0.330754D+01  0.324549D+01
      2  -0.271509D+01  0.403603D+01  0.316639D+00  0.324549D+01  0.292694D+00
      3  -0.119797D+01  0.316639D+00 -0.889889D+00  0.459706D+00 -0.116780D+01
                 6             7             8             9            10 
      1   0.459706D+00 -0.170022D+01  0.905742D+00  0.146644D+00  0.447542D+01
      2  -0.116780D+01  0.905742D+00 -0.200392D+01 -0.933616D+00  0.229031D+01
      3   0.501859D+00  0.146644D+00 -0.933616D+00  0.110358D+02  0.166898D+01
                11            12            13            14            15 
      1   0.229031D+01  0.166898D+01  0.223682D+01 -0.303458D+01 -0.221617D+00
      2  -0.189476D+01  0.738472D-01 -0.303458D+01 -0.182575D+01  0.652397D+00
      3   0.738472D-01 -0.152629D+01 -0.221617D+00  0.652397D+00  0.661719D+00
                16            17            18            19            20 
      1   0.318318D+01 -0.207987D+00  0.482927D+00  0.254321D+01  0.245394D+01
      2  -0.207987D+00  0.731497D+00  0.649391D+00  0.245394D+01 -0.340751D+01
      3   0.482927D+00  0.649391D+00 -0.110485D+02  0.100587D+01  0.213130D+00
                21            22            23            24            25 
      1   0.100587D+01  0.181775D+01 -0.430059D+01 -0.306307D-01  0.143431D+01
      2   0.213130D+00 -0.430059D+01 -0.262127D+01  0.140547D+01  0.552848D+00
      3   0.316452D+00 -0.306307D-01  0.140547D+01  0.140666D+01 -0.368250D+00
                26            27            28            29            30 
      1   0.552848D+00 -0.368250D+00 -0.230622D+01 -0.274239D+00 -0.107687D+01
      2   0.272306D+01  0.231457D+00 -0.274239D+00  0.372264D+01 -0.309654D+00
      3   0.231457D+00 -0.110831D+02 -0.107687D+01 -0.309654D+00 -0.391291D+00
                31            32            33            34            35 
      1   0.671751D+00  0.490487D+01  0.729027D+00 -0.181103D+01  0.169520D+00
      2   0.490487D+01  0.271618D+01 -0.116382D+01  0.169520D+00 -0.191013D+01
      3   0.729027D+00 -0.116382D+01 -0.957737D+00 -0.549791D+00  0.188827D+00
                36            37            38            39            40 
      1  -0.549791D+00  0.732731D+01 -0.149677D-01  0.862013D+00 -0.159122D+01
      2   0.188827D+00 -0.149677D-01  0.695066D-01 -0.832783D+00 -0.714374D+00
      3   0.114961D+02  0.862013D+00 -0.832783D+00 -0.289264D+00 -0.489661D+00
                41            42            43            44            45 
      1  -0.714374D+00 -0.489661D+00  0.363831D+01  0.779618D+00  0.640733D+00
      2  -0.510398D+01  0.845380D+00  0.779618D+00  0.245351D+01 -0.819285D+00
      3   0.845380D+00  0.805618D+00  0.640733D+00 -0.819285D+00 -0.163059D+01
                46            47            48            49            50 
      1  -0.443057D+01 -0.372963D+01 -0.694454D+00 -0.178321D+01  0.236347D+01
      2  -0.372963D+01  0.795439D+00  0.106508D+01  0.236347D+01  0.154553D+01
      3  -0.694454D+00  0.106508D+01  0.234589D+00  0.144942D+00 -0.899214D-01
                51            52            53            54            55 
      1   0.144942D+00 -0.283011D+01  0.299073D-01  0.639068D-02  0.377859D+01
      2  -0.899214D-01  0.299073D-01 -0.177936D+01  0.546613D+00  0.219353D+01
      3  -0.258893D+01  0.639068D-02  0.546613D+00  0.107968D+02  0.204527D+01
                56            57            58            59            60 
      1   0.219353D+01  0.204527D+01  0.334849D+01 -0.329680D+01 -0.226029D+00
      2  -0.152880D+01 -0.116085D+00 -0.329680D+01  0.761319D+01  0.133829D+01
      3  -0.116085D+00  0.139804D+01 -0.226029D+00  0.133829D+01 -0.195003D+00
                61            62            63            64            65 
      1   0.400794D+01 -0.140587D+01 -0.771230D+00  0.519112D+00  0.404358D+00
      2  -0.140587D+01  0.283107D+01  0.178141D+01  0.404358D+00 -0.742680D+00
      3  -0.771230D+00  0.178141D+01  0.336554D+00 -0.107338D+01  0.579689D-01
                66            67            68            69            70 
      1  -0.107338D+01  0.608704D+00 -0.606604D+00  0.100340D+00 -0.224945D+01
      2   0.579689D-01 -0.606604D+00  0.806456D-01 -0.118072D+01  0.138531D+00
      3  -0.108297D-01  0.100340D+00 -0.118072D+01  0.486146D+00 -0.534716D+00
                71            72            73            74            75 
      1   0.138531D+00 -0.534716D+00 -0.867680D+01  0.244289D+00 -0.161936D+01
      2  -0.212440D+01  0.911789D+00  0.244289D+00  0.117926D+01 -0.527776D+00
      3   0.911789D+00 -0.956241D+01 -0.161936D+01 -0.527776D+00  0.104926D+01
                76            77            78            79            80 
      1   0.343471D+01  0.114502D+01 -0.245765D+00 -0.421052D+01 -0.124596D+01
      2   0.114502D+01  0.442665D+01 -0.162746D+01 -0.124596D+01 -0.239037D+01
      3  -0.245765D+00 -0.162746D+01  0.123310D+01 -0.179956D+01 -0.558894D-01
                81            82            83            84            85 
      1  -0.179956D+01 -0.879153D+00 -0.386475D+00  0.116244D+01 -0.442671D+00
      2  -0.558894D-01 -0.386475D+00  0.474219D+00  0.331462D-01  0.463511D+00
      3  -0.421679D+00  0.116244D+01  0.331462D-01 -0.108590D+00  0.423863D-01
                86            87            88            89            90 
      1   0.463511D+00  0.423863D-01  0.210495D+01  0.196387D+00 -0.764126D+00
      2   0.110705D+00  0.123844D+01  0.196387D+00  0.212698D+01 -0.592734D+00
      3   0.123844D+01 -0.558610D+00 -0.764126D+00 -0.592734D+00  0.957164D+01
                91            92            93            94            95 
      1  -0.174940D+00 -0.505214D+00  0.111572D+01 -0.320240D+00  0.706303D+00
      2  -0.505214D+00  0.650399D+00  0.593756D-01  0.706303D+00  0.544614D+00
      3   0.111572D+01  0.593756D-01  0.137531D+00  0.948960D-01  0.118530D+01
                96            97            98            99           100 
      1   0.948960D-01  0.217750D+01 -0.912797D-01  0.411969D+00  0.476734D+01
      2   0.118530D+01 -0.912797D-01  0.217622D+01  0.553699D+00  0.811668D+00
      3   0.708720D-01  0.411969D+00  0.553699D+00  0.982508D+01 -0.119501D+01
               101           102           103           104           105 
      1   0.811668D+00 -0.119501D+01 -0.432380D+00  0.488807D+01  0.183182D+00
      2   0.661419D+01  0.256980D-01  0.488807D+01  0.325616D+01 -0.116310D+01
      3   0.256980D-01  0.497651D+00  0.183182D+00 -0.116310D+01 -0.137534D+01
               106           107           108           109           110 
      1  -0.153968D+01 -0.347001D+00  0.104144D+01  0.247779D+01  0.329264D+00
      2  -0.347001D+00 -0.325088D+01  0.146796D+01  0.329264D+00 -0.319241D+01
      3   0.104144D+01  0.146796D+01 -0.432362D-01  0.199109D+01  0.444818D+00
               111           112           113           114           115 
      1   0.199109D+01  0.812904D+00 -0.539577D+01  0.858634D-01  0.289704D+01
      2   0.444818D+00 -0.539577D+01 -0.363973D+01  0.163340D+01 -0.175833D+00
      3   0.138600D+01  0.858634D-01  0.163340D+01 -0.829073D+00 -0.107142D+01
               116           117           118           119           120 
      1  -0.175833D+00 -0.107142D+01  0.116646D+01  0.271277D+00 -0.124237D+01
      2   0.200468D+01 -0.165007D+01  0.271277D+00 -0.436996D+00  0.693734D-01
      3  -0.165007D+01 -0.972335D+01 -0.124237D+01  0.693734D-01  0.754978D+00
               121           122           123           124           125 
      1   0.187572D+00 -0.508805D+00 -0.339696D+00 -0.255985D+01 -0.278598D+00
      2  -0.508805D+00 -0.156943D-01 -0.120270D+01 -0.278598D+00 -0.200279D+01
      3  -0.339696D+00 -0.120270D+01  0.167920D+00  0.130264D+01  0.269033D+00
               126           127           128           129           130 
      1   0.130264D+01 -0.108814D+01 -0.169719D+01  0.235785D+00 -0.184807D+01
      2   0.269033D+00 -0.169719D+01 -0.777202D+00 -0.246966D+00 -0.150708D+01
      3  -0.977737D+01  0.235785D+00 -0.246966D+00  0.729328D+00 -0.291851D+00
               131           132           133           134           135 
      1  -0.150708D+01 -0.291851D+00 -0.176808D+00 -0.330492D+00  0.480086D+00
      2  -0.978566D+01 -0.372429D+00 -0.330492D+00 -0.209286D+01  0.652872D+00
      3  -0.372429D+00  0.130666D+01  0.480086D+00  0.652872D+00 -0.704142D+01
               136           137           138           139           140 
      1   0.314919D+00  0.166497D+00 -0.129445D+01  0.146311D+00 -0.501470D+00
      2   0.166497D+00 -0.267135D+00 -0.211850D+00 -0.501470D+00 -0.109763D+01
      3  -0.129445D+01 -0.211850D+00 -0.560604D-01  0.221745D-01 -0.116924D+01
               141           142           143           144           145 
      1   0.221745D-01 -0.217321D+01 -0.539439D+00 -0.469173D+00 -0.970900D+01
      2  -0.116924D+01 -0.539439D+00 -0.219594D+01 -0.180921D+01  0.200174D+01
      3  -0.401157D+00 -0.469173D+00 -0.180921D+01 -0.964678D+01 -0.895684D+00
               146           147           148           149           150 
      1   0.200174D+01 -0.895684D+00  0.308559D+00 -0.659032D+00 -0.527623D-01
      2  -0.245052D+01 -0.723273D-01 -0.659032D+00  0.267649D+00 -0.222246D+00
      3  -0.723273D-01 -0.176909D+01 -0.527623D-01 -0.222246D+00  0.317638D+00
               151           152           153           154           155 
      1  -0.242782D+01  0.419848D+00 -0.997164D+00 -0.351017D+01 -0.242667D+01
      2   0.419848D+00 -0.728101D+00  0.284230D+00 -0.242667D+01 -0.291555D+01
      3  -0.997164D+00  0.284230D+00 -0.261687D+00  0.290017D+00  0.240505D+00
               156           157           158           159           160 
      1   0.290017D+00 -0.487853D+01 -0.349586D+01  0.214588D+00  0.141009D+01
      2   0.240505D+00 -0.349586D+01 -0.578197D+01  0.734782D+00  0.955193D+00
      3  -0.106423D+01  0.214588D+00  0.734782D+00 -0.135909D+01 -0.715109D+00
               161           162           163           164           165 
      1   0.955193D+00 -0.715109D+00 -0.245802D+01  0.150512D+01  0.342860D+00
      2   0.155252D+01 -0.688034D+00  0.150512D+01 -0.446680D+01 -0.655521D-01
      3  -0.688034D+00  0.224084D+00  0.342860D+00 -0.655521D-01 -0.606361D+00
               166           167           168           169           170 
      1   0.227787D+01 -0.168603D+01 -0.197622D+00  0.524087D+00 -0.279605D+00
      2  -0.168603D+01  0.767770D+01  0.206646D+00 -0.279605D+00  0.103474D+01
      3  -0.197622D+00  0.206646D+00  0.150613D+01 -0.178195D+00  0.705011D+00
               171           172           173           174           175 
      1  -0.178195D+00  0.871831D+01 -0.269964D+01 -0.150893D+01 -0.109423D+01
      2   0.705011D+00 -0.269964D+01  0.405246D+01 -0.145101D+00  0.426777D+01
      3  -0.696803D-01 -0.150893D+01 -0.145101D+00  0.277774D+00 -0.156686D-01
               176           177           178           179           180 
      1   0.426777D+01 -0.156686D-01 -0.282190D+01  0.776703D+00  0.205077D+01
      2   0.213247D+01 -0.951562D+00  0.776703D+00 -0.191266D+01 -0.756563D+00
      3  -0.951562D+00  0.117086D+01  0.205077D+01 -0.756563D+00 -0.645383D+00
               181           182           183           184           185 
      1  -0.452071D+00  0.313341D+00  0.119159D+01 -0.345643D+00  0.846448D+00
      2   0.313341D+00  0.318522D+00 -0.157182D+00  0.846448D+00  0.518981D+00
      3   0.119159D+01 -0.157182D+00 -0.371691D+00 -0.437908D-01  0.108300D+01
               186           187           188           189           190 
      1  -0.437908D-01  0.261157D+01 -0.233177D+00  0.149737D+01  0.297438D+01
      2   0.108300D+01 -0.233177D+00  0.182691D+01  0.130361D+01  0.244602D+01
      3  -0.582515D-01  0.149737D+01  0.130361D+01  0.101734D+02 -0.873957D+00
               191           192           193           194           195 
      1   0.244602D+01 -0.873957D+00  0.371325D+01  0.318473D+01 -0.279200D+00
      2   0.263656D+01 -0.265768D+00  0.318473D+01  0.679330D+01 -0.103101D+01
      3  -0.265768D+00  0.702703D+00 -0.279200D+00 -0.103101D+01  0.115592D+01
               196           197           198           199           200 
      1  -0.188494D+01 -0.487820D+00  0.974017D+00 -0.399882D+00 -0.452276D+00
      2  -0.487820D+00 -0.191887D+01  0.119619D+01 -0.452276D+00 -0.454777D+00
      3   0.974017D+00  0.119619D+01 -0.151641D+00  0.516276D+00  0.228791D+00
               201           202           203           204           205 
      1   0.516276D+00 -0.508551D+00 -0.195128D+00  0.962242D-01  0.173983D+01
      2   0.228791D+00 -0.195128D+00 -0.121793D+01  0.705212D+00  0.590366D+00
      3  -0.367586D+00  0.962242D-01  0.705212D+00 -0.795425D+00 -0.888490D+00
               206           207           208           209           210 
      1   0.590366D+00 -0.888490D+00 -0.215388D+01 -0.529966D+00  0.244519D+00
      2   0.377460D+01 -0.285309D+01 -0.529966D+00 -0.201409D+01  0.122675D+00
      3  -0.285309D+01  0.754372D+01  0.244519D+00  0.122675D+00 -0.331344D-01
               211           212           213           214           215 
      1  -0.301242D+01 -0.113562D+00  0.260965D+00  0.656710D+00  0.108391D+00
      2  -0.113562D+00 -0.688683D+01  0.313695D+00  0.108391D+00  0.107450D+01
      3   0.260965D+00  0.313695D+00 -0.167249D+01  0.722406D-01 -0.583609D+00
               216 
      1   0.722406D-01
      2  -0.583609D+00
      3   0.103639D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.132747D+01  0.206460D+00 -0.149343D+01 -0.185032D+01  0.519941D+00
      2   0.156016D+01 -0.600242D+00  0.344390D+00 -0.367291D+00  0.228318D+01
      3  -0.340153D+01 -0.181993D+01 -0.104827D+01  0.307489D+01  0.208280D+01
                 6             7             8             9            10 
      1   0.200332D+00 -0.324971D+00  0.447919D+01 -0.839257D+01  0.825736D+00
      2   0.117822D+01 -0.293641D+01  0.746734D+00 -0.973391D+01 -0.235562D+01
      3  -0.183977D+00  0.183670D+00 -0.164370D+01 -0.836940D+00  0.670367D+00
                11            12            13            14            15 
      1  -0.883485D+00 -0.401664D-01  0.556444D+00 -0.141852D+01 -0.150262D+01
      2  -0.160949D+01  0.302755D+00 -0.210383D-01 -0.235479D+01 -0.227742D+01
      3  -0.566189D+01 -0.693906D+00 -0.288357D+00 -0.768216D+00  0.199886D+01
                16            17            18            19            20 
      1  -0.377554D+00  0.247806D+01 -0.505180D+01 -0.925091D+00 -0.429839D+00
      2  -0.419487D+01 -0.144679D+01  0.128006D+02 -0.115189D+01  0.481936D+00
      3  -0.186822D+01  0.145719D+01  0.712837D+00  0.132865D+01  0.663650D+00
                21            22            23            24            25 
      1   0.138680D+01 -0.386454D+00 -0.219405D+01  0.301037D+00  0.165089D+01
      2   0.157882D+01 -0.108970D+01  0.395934D+00 -0.653866D+00 -0.335638D+01
      3   0.130698D+01  0.627215D+01 -0.476539D+01 -0.139560D+01  0.142534D+01
                26            27            28            29            30 
      1   0.305575D+01  0.102829D+02  0.937249D+00 -0.222075D+00  0.189427D+01
      2  -0.419215D+00 -0.234455D+01 -0.234777D+01 -0.452380D+00  0.696644D-01
      3   0.375748D+00 -0.710913D+00 -0.583718D+01 -0.992116D+01 -0.700454D+00
                31            32            33            34            35 
      1  -0.103176D+01  0.161766D+01  0.221750D+01  0.181455D+01  0.294411D+01
      2  -0.100110D+01 -0.158405D+01 -0.245113D+01 -0.460945D+01  0.218526D+01
      3  -0.745184D+01 -0.258334D+01  0.224347D+01 -0.117662D+00  0.130414D+01
                36            37            38            39            40 
      1  -0.463144D+01  0.109328D+01  0.180657D+00 -0.341816D+01  0.879122D+00
      2   0.175431D+02  0.972536D+00  0.477705D+00  0.102457D+02  0.206973D+00
      3  -0.475040D+00 -0.972714D+01 -0.854280D+01 -0.944352D+00  0.129062D+02
                41            42            43            44            45 
      1   0.523780D+00 -0.739420D+01  0.269984D+01  0.516109D+01  0.375343D+00
      2   0.113323D+01  0.286484D+01 -0.648072D+01 -0.272408D+01  0.105304D+01
      3   0.547108D+01 -0.794298D+00 -0.414873D+01 -0.262378D+01 -0.345876D+00
                46            47            48            49            50 
      1  -0.405860D+00  0.859237D-01  0.212013D+01 -0.351367D+00 -0.702603D+00
      2   0.135897D+01  0.845166D-01 -0.603386D+01 -0.765729D+00  0.129691D+01
      3   0.354464D+01  0.663671D+01  0.118096D+01  0.361693D+01  0.228296D+01
                51            52            53            54            55 
      1  -0.562654D+00 -0.160261D+01  0.322674D+01  0.138438D+02 -0.428528D+01
      2  -0.519905D+00 -0.373637D+01 -0.201283D+01 -0.107235D+02 -0.758025D+01
      3  -0.170633D+01  0.372865D+01 -0.144929D+01  0.376845D+00  0.150970D+02
                56            57            58            59            60 
      1   0.129244D-01  0.159232D+00  0.142371D+01 -0.220705D+01 -0.637612D+01
      2   0.209470D+01  0.167824D+01  0.441883D+00 -0.213196D+01 -0.263698D+01
      3  -0.247891D+01  0.340808D+01  0.827943D+01  0.933631D+01  0.122118D+01
                61            62            63            64            65 
      1   0.357358D+00  0.131535D+01 -0.284418D+01  0.797780D+00 -0.419346D-01
      2  -0.501152D+01 -0.183114D+01 -0.296445D+01  0.160468D+01 -0.181407D+00
      3   0.686894D+01  0.403358D+01  0.180888D+01  0.836719D+00 -0.141932D+01
                66            67            68            69            70 
      1  -0.480166D+00 -0.569826D-01  0.142367D+01 -0.101271D+01  0.125168D-01
      2   0.927109D+00 -0.681762D-01  0.921576D+00  0.512222D-01 -0.424126D+01
      3  -0.915043D+00  0.111535D+01 -0.411750D+00 -0.116994D+01 -0.232937D+01
                71            72            73            74            75 
      1   0.394053D+01  0.872811D+01 -0.215798D+01 -0.909647D+00 -0.499960D-01
      2  -0.572797D+00  0.101788D+02  0.498174D+01  0.313309D+01  0.647394D+01
      3  -0.219593D+01  0.691882D+00  0.888000D+01 -0.353208D+01 -0.394993D+00
                76            77            78            79            80 
      1  -0.299024D+01 -0.278910D+01 -0.130623D+01  0.638630D+00  0.505418D+01
      2   0.237907D+01  0.557575D+01 -0.280774D+01 -0.883058D+00 -0.107516D+01
      3   0.617883D+01  0.171580D+02 -0.373569D+01  0.431284D+00 -0.789575D+01
                81            82            83            84            85 
      1  -0.111071D+01  0.379198D+00  0.374030D+00  0.442494D+00  0.572194D+00
      2   0.404021D+01 -0.187297D+01  0.264442D-01  0.614244D+00  0.344055D+00
      3   0.130068D+01 -0.148154D-01 -0.293074D+00 -0.337306D+00  0.181605D+01
                86            87            88            89            90 
      1   0.695400D+00 -0.170502D+01 -0.441636D-01  0.449695D+01  0.367479D+01
      2  -0.188940D+01  0.412586D+00 -0.358259D+01  0.687306D+00 -0.138823D+02
      3   0.265395D+00  0.151498D+01 -0.739446D+00  0.333535D+01 -0.104672D-01
                91            92            93            94            95 
      1  -0.172103D+01  0.135201D+00  0.104404D+00 -0.117637D+00 -0.144591D+01
      2   0.380872D+00  0.623896D+00  0.766069D+00  0.561581D+00  0.263118D+00
      3   0.870397D-01 -0.179034D+01  0.133902D+01  0.576991D+00  0.420999D+00
                96            97            98            99           100 
      1  -0.635335D+00 -0.578433D+00  0.397070D+01 -0.112253D+02  0.284926D+01
      2  -0.316640D+00 -0.514821D+01  0.226794D+00  0.228659D+01  0.553796D-01
      3  -0.222750D+00  0.279700D+01 -0.102098D+01  0.178652D+00  0.151637D+02
               101           102           103           104           105 
      1  -0.120588D+01 -0.399743D+01 -0.928255D+00  0.522445D+01 -0.467320D+01
      2  -0.153594D+01  0.397803D+01  0.633327D+00  0.410926D+00  0.173547D+01
      3  -0.112898D+02 -0.223425D+01 -0.605501D+00  0.939983D+01  0.160093D+01
               106           107           108           109           110 
      1  -0.272498D+01  0.217752D+01  0.271323D+01 -0.195380D+01 -0.151532D+01
      2  -0.299331D+01  0.129674D+01 -0.649920D+00  0.445040D+01  0.139328D+01
      3  -0.513202D+01  0.170955D+01  0.120861D+01  0.361701D+01  0.786742D+01
               111           112           113           114           115 
      1  -0.272271D+01 -0.295924D+01 -0.383717D+01  0.987956D+00  0.199368D+00
      2   0.181089D+01  0.214882D+01  0.598913D+01  0.366046D+00 -0.742414D+01
      3  -0.591317D+00  0.173326D+02  0.611405D+01 -0.436313D+01  0.762391D+00
               116           117           118           119           120 
      1   0.239916D+01  0.575618D+01  0.368177D+00  0.507004D+00  0.348588D+00
      2  -0.420253D+01 -0.235262D+02 -0.139187D+01  0.233009D+00  0.202641D+01
      3  -0.577913D+01  0.415588D+01 -0.121370D+00  0.303096D+00 -0.485759D+00
               121           122           123           124           125 
      1   0.184561D+00  0.977094D-01 -0.749266D+00 -0.896857D-01  0.451165D+01
      2  -0.526785D+00 -0.191217D+01  0.254999D+00 -0.390024D+01  0.166123D-01
      3   0.278607D+01 -0.772865D+00  0.179795D+01 -0.276158D+00  0.342334D+01
               126           127           128           129           130 
      1   0.288411D+01  0.205364D+00 -0.855874D+00  0.113009D+01 -0.133466D+00
      2  -0.134199D+02 -0.359529D+00 -0.129364D+01  0.466522D+01  0.787207D+00
      3  -0.115966D+01  0.178482D+01 -0.236201D+01  0.422990D+00  0.109554D+02
               131           132           133           134           135 
      1  -0.667670D-01 -0.581380D+01  0.275501D+01  0.607848D+01 -0.198987D+02
      2   0.598897D-02  0.508229D+00 -0.128837D+01 -0.721833D+00  0.600211D+01
      3  -0.589513D+01  0.457770D+00 -0.918252D-01  0.871798D-01 -0.949560D+00
               136           137           138           139           140 
      1  -0.230269D+01 -0.257335D+00 -0.315172D+00  0.378835D+00 -0.134731D+01
      2   0.953987D+00  0.113574D+00  0.868470D+00  0.697890D+00  0.765247D+00
      3  -0.151064D+00 -0.191981D+01  0.219293D+01  0.209453D+00  0.338811D+00
               141           142           143           144           145 
      1  -0.104652D+01 -0.103057D+00  0.279469D+01 -0.133873D+02  0.274786D+01
      2   0.535236D-01 -0.451530D+01  0.104131D+01  0.797624D+01  0.609957D+01
      3  -0.727013D+00  0.371700D+01 -0.588690D+00  0.429856D+00 -0.190472D+02
               146           147           148           149           150 
      1  -0.757767D-01  0.333464D+01  0.203523D+00  0.676226D+00 -0.254504D+00
      2  -0.689631D+00  0.536972D+01  0.669399D-01  0.492851D+00 -0.400521D+00
      3  -0.351081D+01 -0.261906D+01 -0.123916D+01 -0.242796D+01 -0.792572D+00
               151           152           153           154           155 
      1   0.207023D+01  0.237493D+00  0.631063D+00  0.121472D+01  0.145665D+01
      2   0.267939D+01 -0.755090D+00  0.120598D+01 -0.191361D+01 -0.169434D+01
      3  -0.525137D+01 -0.139342D+01 -0.158153D+01 -0.521254D+01 -0.737401D+01
               156           157           158           159           160 
      1  -0.137652D+01  0.217212D+01  0.270226D+01 -0.248000D+01 -0.122738D+01
      2   0.311879D+01 -0.236622D+01 -0.411315D+01  0.461417D+01  0.150454D+01
      3   0.584400D+00 -0.525961D+01 -0.182904D+02  0.250592D+01  0.142300D+01
               161           162           163           164           165 
      1  -0.544448D+00  0.715620D+00 -0.179568D+01  0.166777D+01  0.259466D+01
      2   0.255982D+01 -0.968359D+00 -0.259114D+00  0.646497D+00 -0.188476D+00
      3   0.498206D+01 -0.156843D+01 -0.120697D+02  0.823504D+01  0.147833D+01
               166           167           168           169           170 
      1   0.147908D+01 -0.251573D+01 -0.458874D+01  0.828799D+00 -0.137827D+01
      2   0.443066D+00 -0.930008D+00 -0.706074D-01 -0.916825D+00  0.722303D-01
      3   0.996713D+01 -0.118466D+02 -0.871045D+00  0.257685D+01 -0.165459D+01
               171           172           173           174           175 
      1  -0.187227D+00 -0.506778D+00 -0.659785D+00  0.385030D+01  0.330354D+00
      2  -0.219467D+00 -0.495500D+01  0.970126D+00  0.792049D+01 -0.140043D+01
      3  -0.102313D+01  0.177631D+01 -0.212547D+02  0.151885D+00 -0.119734D+02
               176           177           178           179           180 
      1  -0.265628D+01 -0.400665D+01 -0.923910D-01  0.484606D+01 -0.220141D+01
      2  -0.330062D+01 -0.253995D+00  0.240675D+01 -0.227881D+01 -0.348899D+01
      3  -0.101307D+02  0.351540D+01  0.419577D+00  0.727325D+01  0.197540D+01
               181           182           183           184           185 
      1  -0.312598D+00  0.341720D-01 -0.794083D-02  0.451272D+00 -0.191963D+00
      2   0.416496D+01 -0.861612D+00 -0.351955D+00 -0.251416D+00  0.273823D+01
      3  -0.136784D+01 -0.140622D+01  0.863656D+00 -0.115253D+01 -0.932944D+00
               186           187           188           189           190 
      1  -0.194055D+00 -0.110115D+01  0.389681D+01 -0.445877D+01  0.161897D+01
      2  -0.160843D+00 -0.148358D+01  0.398684D+01  0.265375D+02 -0.282963D+01
      3  -0.268358D+01  0.188501D+01 -0.501336D+01 -0.324502D+01 -0.463356D+01
               191           192           193           194           195 
      1   0.926666D+00 -0.145721D+01  0.131135D+01  0.266570D+01 -0.303076D+01
      2  -0.127507D+01  0.327562D+01 -0.136326D+01 -0.398971D+01  0.408982D+01
      3  -0.719346D+01  0.312586D+00 -0.401385D+01 -0.190936D+02  0.293384D+01
               196           197           198           199           200 
      1  -0.940992D+00 -0.196382D+00  0.547656D+00  0.148603D+01  0.557117D+00
      2   0.195170D+01  0.352475D+01 -0.907227D+00 -0.726388D+00 -0.555580D+00
      3  -0.246806D+00  0.559580D+01 -0.288371D+01  0.546817D+00  0.326051D+00
               201           202           203           204           205 
      1  -0.120790D+01  0.952937D-01  0.271605D+01 -0.200989D+01 -0.296430D+01
      2   0.204909D+00 -0.605467D+00 -0.837133D+00  0.910329D+00 -0.172535D+01
      3  -0.125398D+01  0.100060D+01 -0.481204D+00  0.420694D+00 -0.419670D+01
               206           207           208           209           210 
      1  -0.588357D+01  0.227296D+02  0.515684D+00  0.912385D+00 -0.798809D+00
      2   0.260571D+01 -0.689028D+01  0.116146D+01  0.270650D+00 -0.981726D+00
      3   0.178248D+01  0.978974D-01  0.741339D+01  0.920513D+01 -0.822784D+00
               211           212           213           214           215 
      1   0.766746D+00  0.270955D+01 -0.304803D+01 -0.180298D-01 -0.528614D+00
      2   0.111580D+01  0.770914D+00 -0.448982D+01 -0.102516D+01 -0.174847D+01
      3   0.680687D+01  0.263685D+02 -0.156337D+01 -0.182042D+01 -0.410104D+01
               216 
      1   0.306685D+00
      2   0.930442D-01
      3   0.185285D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.633008D+01 -0.264298D+01  0.841091D-01  0.680218D+01 -0.272018D+00
      2  -0.628632D+01  0.127043D+02 -0.184855D+01  0.167176D+01 -0.760038D+01
      3  -0.437509D-01 -0.100613D+02  0.176444D+01 -0.847393D+01  0.787239D+01
      4   0.847086D+01 -0.154707D+02 -0.166305D+01 -0.189130D+02  0.108226D+02
      5   0.443866D+01 -0.217274D+01 -0.376158D+01 -0.460252D+01  0.138853D+01
      6  -0.123643D+01  0.370801D+01  0.448411D+01  0.358708D+01 -0.418853D+01
                 6             7             8             9            10 
      1   0.780540D+00  0.430327D+01  0.617172D+00  0.105356D+02 -0.253995D+02
      2   0.424531D+00  0.100732D+01 -0.742434D+01  0.762861D+01  0.127277D+02
      3  -0.120507D+01 -0.531060D+01  0.680717D+01 -0.181642D+02  0.126718D+02
      4   0.250986D+01 -0.499696D+01  0.792064D+01  0.260630D+01 -0.839054D+01
      5   0.417590D+01 -0.243060D+00  0.288586D+01 -0.237665D+02 -0.856364D+01
      6  -0.672185D+01  0.181198D+01 -0.220207D+01  0.217476D+02 -0.125146D+01
                11            12            13            14            15 
      1  -0.782859D+01 -0.212978D+01 -0.119219D+02  0.883202D+01  0.144377D+01
      2   0.395020D+01  0.480903D+01  0.767682D+01 -0.327372D+01 -0.652951D+00
      3   0.387839D+01 -0.267925D+01  0.424511D+01 -0.555830D+01 -0.790815D+00
      4  -0.537652D+01 -0.105197D+01  0.735244D+01  0.293691D+01 -0.869905D+00
      5  -0.181583D+01 -0.548379D+01 -0.278716D+00  0.119219D+00 -0.542397D+01
      6  -0.301686D+01 -0.772762D+00 -0.107760D+01 -0.899886D+00 -0.489911D+00
                16            17            18            19            20 
      1  -0.147921D+02 -0.211249D+01  0.922676D+01 -0.931860D+01  0.940493D+01
      2   0.714857D+01 -0.411138D+00  0.866201D+01  0.708292D+01 -0.151864D+02
      3   0.764349D+01  0.252362D+01 -0.178888D+02  0.223568D+01  0.578144D+01
      4  -0.115332D+01 -0.146718D+01 -0.239865D+01  0.157412D+01 -0.376116D+01
      5  -0.238773D+01 -0.282785D+01  0.329916D+02  0.213484D+01  0.161834D+01
      6  -0.529223D+00 -0.964208D+00  0.126661D+02  0.808527D+00  0.186727D+01
                21            22            23            24            25 
      1  -0.743531D+00  0.546397D+01  0.633156D+01 -0.424095D+01 -0.846930D+00
      2  -0.121032D+01 -0.116769D+02 -0.145473D+02  0.495129D+00  0.428444D+01
      3   0.195385D+01  0.621293D+01  0.821574D+01  0.374582D+01 -0.343751D+01
      4   0.118527D+01 -0.822284D+01 -0.130981D+02 -0.515068D+00  0.417085D+01
      5  -0.206254D+01  0.236350D+01  0.140849D+01 -0.169837D+01  0.587807D-01
      6  -0.319962D+01 -0.346897D+00  0.564391D+01 -0.634799D+01 -0.167009D+01
                26            27            28            29            30 
      1  -0.377897D+01  0.938592D+01 -0.116088D+02 -0.125340D+01 -0.473812D+01
      2   0.100295D+02  0.112160D+02  0.434952D+01  0.744827D-01  0.173955D+01
      3  -0.625052D+01 -0.206019D+02  0.725925D+01  0.117892D+01  0.299857D+01
      4   0.405880D+01 -0.973304D+00 -0.833606D+01 -0.761632D+00 -0.221172D+01
      5  -0.469857D+00 -0.618535D+01 -0.543206D+01 -0.113879D+01 -0.538017D+01
      6   0.522517D+00 -0.264256D+02 -0.276755D+01  0.116879D-01 -0.379205D+01
                31            32            33            34            35 
      1  -0.547130D+00  0.191153D+02 -0.373707D+00 -0.426324D+01 -0.142010D+00
      2   0.145257D+01 -0.192324D+02 -0.334880D+01 -0.125266D+01 -0.224048D+01
      3  -0.905435D+00  0.117060D+00  0.372251D+01  0.551590D+01  0.238249D+01
      4  -0.614531D+01  0.696044D+00 -0.265645D+01  0.187808D+01 -0.148330D+01
      5   0.246935D+01 -0.189286D+01 -0.710618D+01 -0.362739D+01  0.720756D+00
      6  -0.340381D+00  0.113828D+01 -0.794733D+01 -0.181556D+01 -0.802480D+00
                36            37            38            39            40 
      1   0.958778D+01  0.215172D+02 -0.302223D+01 -0.885606D+00 -0.902478D-01
      2   0.102612D+02 -0.152729D+02  0.260996D+01 -0.112628D+01 -0.544508D+00
      3  -0.198489D+02 -0.624436D+01  0.412268D+00  0.201188D+01  0.634755D+00
      4   0.118980D+01 -0.818601D+01  0.145200D+02 -0.169804D+01  0.156391D+02
      5   0.345750D+02  0.220014D+01 -0.145903D+00  0.188825D+02 -0.200275D+01
      6   0.586741D+01 -0.664940D+00  0.280130D+01  0.814381D+01  0.378881D+00
                41            42            43            44            45 
      1  -0.151063D+02  0.318251D+01  0.653308D+01  0.446797D+01 -0.715265D+01
      2   0.212555D+02 -0.226458D-01 -0.636486D+01 -0.478503D+01 -0.552841D+01
      3  -0.614927D+01 -0.315986D+01 -0.168222D+00  0.317061D+00  0.126811D+02
      4  -0.131374D+01  0.152670D+01 -0.527909D+01  0.172990D+01 -0.283465D+01
      5   0.577814D+00  0.737626D+01  0.763207D+01 -0.328118D+00  0.112809D+01
      6  -0.342762D+01  0.131393D+02 -0.736888D+00  0.776189D+01  0.295246D+00
                46            47            48            49            50 
      1  -0.213192D+02  0.895440D+01  0.545946D+01 -0.318919D+01  0.869380D+01
      2   0.202457D+02 -0.105877D+02 -0.152718D+01 -0.251843D+01 -0.229649D+02
      3   0.107346D+01  0.163331D+01 -0.393227D+01  0.570761D+01  0.142711D+02
      4   0.491364D+01 -0.857042D+01  0.513497D+00 -0.143143D+02 -0.127972D+02
      5   0.306785D+00  0.764240D-01 -0.140109D+02  0.144981D+01  0.275376D+00
      6  -0.356609D+00 -0.305136D+01 -0.655677D+01  0.296399D+00  0.816232D+00
                51            52            53            54            55 
      1  -0.312483D+00  0.253101D+01 -0.123265D+01  0.124216D+02 -0.222856D+02
      2  -0.265593D+00  0.675273D+00  0.101019D+02  0.107338D+02  0.162535D+02
      3   0.578076D+00 -0.320629D+01 -0.886921D+01 -0.231554D+02  0.603212D+01
      4   0.683475D+00  0.479704D+01  0.382302D-01  0.965247D+00  0.635516D+01
      5  -0.899005D+00 -0.316242D+01 -0.168519D+01 -0.178634D+02 -0.102873D+02
      6  -0.604933D+01 -0.398248D+00 -0.370627D+01 -0.335986D+02  0.910445D+01
                56            57            58            59            60 
      1   0.943502D-01 -0.717612D+01 -0.571644D+01 -0.112245D+02 -0.433245D+01
      2  -0.604851D+01  0.577159D+01 -0.477270D+01  0.302965D+02  0.281385D+01
      3   0.595416D+01  0.140453D+01  0.104891D+02 -0.190721D+02  0.151860D+01
      4   0.190152D+02  0.687645D+01  0.285843D+02 -0.354015D+02 -0.556621D+01
      5   0.231201D+01  0.651843D+01  0.273225D+01 -0.559398D+01 -0.494886D+01
      6  -0.296129D+01 -0.803111D+00 -0.289232D+01  0.799338D+01  0.128875D+02
                61            62            63            64            65 
      1  -0.136389D+02 -0.246490D+01 -0.783388D+01 -0.422724D+00 -0.388612D+00
      2   0.534379D+01  0.827013D+01 -0.193557D+00 -0.254524D+01 -0.746118D+00
      3   0.829511D+01 -0.580523D+01  0.802744D+01  0.296796D+01  0.113473D+01
      4   0.169805D+02 -0.138341D+02 -0.696387D+01 -0.725239D+00  0.406306D+01
      5   0.850473D+01 -0.781114D+01 -0.635160D+01  0.297563D+01 -0.506421D+00
      6  -0.388022D+01  0.137542D+02  0.579550D+01 -0.244641D+01 -0.532698D+00
                66            67            68            69            70 
      1   0.295670D+01 -0.451026D+00 -0.297960D+01  0.234672D+01  0.404789D+01
      2  -0.166929D+01 -0.677292D+00  0.948571D+00 -0.277562D+01 -0.280486D+01
      3  -0.128740D+01  0.112832D+01  0.203103D+01  0.428898D+00 -0.124303D+01
      4  -0.250642D+01  0.396762D+01 -0.146812D+01  0.298588D+01 -0.454961D+01
      5   0.714790D+01  0.751050D-01  0.269645D+01 -0.565841D+00  0.601835D+01
      6   0.659558D+00  0.269028D+00 -0.348336D+01  0.779646D+01 -0.147757D+01
                71            72            73            74            75 
      1   0.359302D+01 -0.174479D+02  0.590364D+02 -0.240878D+01  0.660542D+01
      2  -0.327890D+01 -0.158517D+02 -0.372663D+02 -0.103355D+01 -0.676937D+01
      3  -0.314113D+00  0.332996D+02 -0.217701D+02  0.344232D+01  0.163949D+00
      4   0.506418D+01 -0.193272D+01  0.196281D+01  0.306623D+01  0.412748D+01
      5  -0.215906D+01  0.230273D+02  0.130323D+02  0.383934D+01  0.131406D+02
      6   0.664003D+01 -0.217770D+02  0.233945D+01  0.200114D+01  0.438280D+00
                76            77            78            79            80 
      1  -0.158578D+02 -0.879687D+01 -0.160347D+00  0.216936D+02  0.452377D+01
      2   0.547228D+01  0.198629D+01  0.170375D+01 -0.127250D+02  0.282939D+00
      3   0.103856D+02  0.681059D+01 -0.154340D+01 -0.896860D+01 -0.480671D+01
      4  -0.854403D+01 -0.263760D+02  0.823623D+01  0.981878D+01  0.138836D+02
      5   0.302846D+01  0.914584D+01 -0.398889D+01  0.174715D+02  0.457866D-01
      6   0.109581D+01  0.261001D+01  0.478519D+01  0.234020D+01  0.504811D+01
                81            82            83            84            85 
      1   0.387094D+01  0.322898D+01  0.157078D+01 -0.502749D+01  0.145442D+01
      2  -0.112835D+02 -0.472785D+01 -0.120362D+01  0.299682D+01 -0.987190D+00
      3   0.741252D+01  0.149887D+01 -0.367158D+00  0.203067D+01 -0.467227D+00
      4   0.228566D+00  0.139324D+01  0.111227D+01 -0.827172D+00  0.110717D+01
      5   0.824953D+01 -0.418418D+01 -0.204425D+00  0.671491D+01  0.963162D-01
      6   0.224474D+01 -0.835240D+00  0.328671D+00 -0.386552D+00 -0.704805D+00
                86            87            88            89            90 
      1  -0.499281D+01  0.179940D+01 -0.701381D+01  0.136786D+01 -0.164752D+02
      2   0.103934D+01 -0.119279D+01  0.546723D+01 -0.113605D+01 -0.167762D+02
      3   0.395346D+01 -0.606610D+00  0.154658D+01 -0.231814D+00  0.332514D+02
      4   0.993782D-01 -0.407309D+01 -0.254048D+01 -0.587090D+01  0.147701D+01
      5  -0.443442D+01  0.109667D+01  0.734028D+01  0.226622D+01 -0.320863D+02
      6  -0.206433D+01  0.859063D+01  0.638206D+00  0.596312D+01 -0.958427D+01
                91            92            93            94            95 
      1   0.176658D+01 -0.140160D+01  0.984811D+00 -0.203752D+01 -0.412807D+01
      2  -0.486718D+01  0.197727D+01 -0.329762D+00  0.230526D+01  0.167082D+01
      3   0.310061D+01 -0.575667D+00 -0.655049D+00 -0.267737D+00  0.245725D+01
      4  -0.315194D+00  0.190536D+01  0.247014D+01  0.234291D+01  0.145948D+01
      5   0.101553D+01  0.274588D+00  0.700653D+01 -0.141316D+00  0.749925D+00
      6   0.321094D+01 -0.513462D-01 -0.597268D-01  0.223170D+00  0.317813D+01
                96            97            98            99           100 
      1  -0.244200D+01  0.907618D+00 -0.511860D+01 -0.190990D+02  0.121067D+02
      2   0.409968D+01 -0.139148D+01  0.644277D+01 -0.172329D+02 -0.606750D+01
      3  -0.165768D+01  0.483863D+00 -0.132417D+01  0.363318D+02 -0.603923D+01
      4   0.107411D+01  0.402383D+01  0.174496D+01  0.584486D+00  0.208876D+02
      5  -0.298768D+00  0.542759D+01  0.353601D+00  0.635858D+01 -0.211595D+01
      6   0.709748D+01  0.120190D+01  0.648640D+01  0.259804D+02 -0.528098D+01
               101           102           103           104           105 
      1  -0.219300D+02 -0.176210D+00 -0.124150D+02 -0.736043D+01  0.631078D+01
      2   0.383266D+02  0.189517D+01  0.242946D+02  0.165134D+02 -0.444914D+01
      3  -0.163966D+02 -0.171896D+01 -0.118796D+02 -0.915297D+01 -0.186163D+01
      4   0.144507D+02 -0.441326D+01  0.149032D+02  0.286018D+02 -0.469790D+00
      5  -0.493902D+00  0.851597D+01 -0.961363D+00 -0.314387D+01  0.258274D+01
      6  -0.611644D+00  0.629869D+01  0.659078D+00 -0.851947D+01  0.107727D+02
               106           107           108           109           110 
      1  -0.109547D+01  0.108275D+02 -0.803065D+01  0.169916D+01  0.272507D+01
      2  -0.188435D+00 -0.165405D+02  0.677307D+00 -0.363382D+01 -0.163216D+01
      3   0.128391D+01  0.571301D+01  0.735334D+01  0.193466D+01 -0.109291D+01
      4  -0.743643D+01 -0.452724D+01  0.563496D+01  0.797258D+01 -0.211450D+02
      5   0.680158D+01  0.330403D+01 -0.979186D+00  0.139231D+02  0.225297D+01
      6   0.645321D+01  0.138835D+02 -0.565420D+01  0.330799D+01  0.293009D+01
               111           112           113           114           115 
      1   0.602234D+01  0.165484D+02 -0.247985D+02  0.333986D+01  0.180328D+02
      2  -0.620610D+01 -0.123345D+02  0.532948D+01  0.419952D+01 -0.563779D+01
      3   0.183756D+00 -0.421387D+01  0.194691D+02 -0.753938D+01 -0.123950D+02
      4   0.372498D+01 -0.363889D+02 -0.198603D+02  0.824650D+01 -0.253798D+01
      5  -0.103801D+01 -0.957584D+00  0.928849D+01  0.215853D+01 -0.632691D+01
      6   0.581519D+01  0.889207D+00  0.127483D+01 -0.562122D+01 -0.778041D+00
               116           117           118           119           120 
      1   0.908567D+00  0.101563D+02  0.405687D+01  0.109107D+01 -0.317045D+01
      2   0.160702D+01  0.128808D+02 -0.534888D+01 -0.872214D+00  0.211721D+01
      3  -0.251559D+01 -0.230372D+02  0.129201D+01 -0.218860D+00  0.105325D+01
      4   0.120669D+02 -0.111582D+02  0.805246D+00  0.153887D+01  0.505243D+00
      5  -0.883125D+01 -0.463201D+02 -0.362686D+01  0.297280D+00  0.872012D+01
      6  -0.178130D+01 -0.360455D+01 -0.279099D+00 -0.459470D-01 -0.392506D+00
               121           122           123           124           125 
      1   0.121801D+01 -0.534292D+01 -0.943684D+00 -0.628082D+01  0.115676D+01
      2  -0.106859D+01  0.186503D+01  0.211398D+00  0.753932D+01  0.812844D-01
      3  -0.149415D+00  0.347789D+01  0.732286D+00 -0.125850D+01 -0.123805D+01
      4   0.202820D+01  0.365840D+00 -0.242308D+01 -0.614307D+00 -0.361583D+01
      5  -0.798220D+00 -0.358469D+01  0.119499D+01  0.884749D+01  0.936920D+00
      6  -0.583284D+00 -0.391485D+00  0.807004D+01  0.916169D+00  0.543227D+01
               126           127           128           129           130 
      1  -0.175731D+02  0.780225D+01 -0.155325D+01 -0.598472D+00  0.477318D+00
      2  -0.178460D+02  0.162992D+01  0.690648D+01  0.877206D+00  0.634179D+01
      3   0.354191D+02 -0.943217D+01 -0.535322D+01 -0.278734D+00 -0.681911D+01
      4   0.331998D+00  0.705286D+01  0.173936D+02 -0.100187D+00  0.210932D+02
      5  -0.279181D+02 -0.775027D+00 -0.696937D+00  0.603430D+01 -0.138983D+01
      6  -0.336158D+01 -0.932055D+00  0.497905D+00 -0.124536D+01  0.838543D+00
               131           132           133           134           135 
      1  -0.353796D+02  0.250894D+00 -0.176919D+01 -0.601135D+01  0.257027D+01
      2   0.663029D+02  0.169877D+01  0.109351D+01  0.480627D+01  0.343910D-01
      3  -0.309233D+02 -0.194966D+01  0.675681D+00  0.120508D+01 -0.260466D+01
      4   0.240752D+02  0.107887D+01  0.708505D+00  0.314345D+01 -0.312694D+01
      5   0.723526D+00  0.921024D+00  0.369272D+01 -0.128378D+01  0.120241D+02
      6  -0.117236D+01  0.100642D+02 -0.221469D+01  0.225852D+01  0.334902D+02
               136           137           138           139           140 
      1   0.676758D+00 -0.804048D+00  0.141090D+01 -0.124877D+01 -0.569204D+01
      2  -0.368561D+01  0.850734D+00  0.729961D-01  0.165979D+01  0.409145D+01
      3   0.300885D+01 -0.466859D-01 -0.148390D+01 -0.411022D+00  0.160059D+01
      4  -0.573458D+00  0.330167D+01  0.364848D+01  0.263411D+01  0.197574D+01
      5   0.153953D+01  0.896736D+00  0.779842D+01  0.141484D+00  0.131418D+01
      6   0.446651D+01  0.164834D+00  0.672998D+00  0.414273D-02  0.444169D+01
               141           142           143           144           145 
      1  -0.254755D+01  0.770762D+00 -0.779774D+01 -0.211970D+02  0.462601D+02
      2   0.403650D+01 -0.765256D+00  0.559721D+01 -0.130019D+02 -0.206962D+02
      3  -0.148895D+01 -0.550552D-02  0.220053D+01  0.341988D+02 -0.255640D+02
      4   0.103733D+01  0.519047D+01  0.410437D+01  0.121996D+01 -0.361174D+02
      5  -0.160528D+00  0.597644D+01  0.249483D+01  0.130206D+02  0.378877D+01
      6   0.795229D+01  0.171392D+01  0.110874D+02  0.316105D+02 -0.489124D+01
               146           147           148           149           150 
      1  -0.401676D+01  0.606566D+01  0.552272D+00  0.195467D+01  0.608099D+00
      2  -0.395602D+01 -0.252774D+01 -0.217591D+01  0.785270D+00 -0.112534D+01
      3   0.797278D+01 -0.353791D+01  0.162364D+01 -0.273994D+01  0.517244D+00
      4   0.150750D+02 -0.324242D+01  0.470849D+01 -0.188451D+01  0.950961D+00
      5  -0.101043D+00  0.739120D+01  0.434316D+00  0.108778D+01 -0.129089D+01
      6  -0.151965D+00 -0.609168D+01 -0.162417D+00 -0.396556D+00  0.425961D+00
               151           152           153           154           155 
      1   0.108690D+02 -0.554760D+00  0.439135D+01  0.194392D+02  0.117493D+02
      2  -0.546803D+01 -0.125609D+01 -0.252365D+01 -0.657991D+01 -0.208432D+01
      3  -0.540101D+01  0.181085D+01 -0.186770D+01 -0.128593D+02 -0.966499D+01
      4  -0.883781D+01  0.357483D+01 -0.384894D+01  0.170634D+02  0.193495D+02
      5   0.644355D+01 -0.127710D+01  0.223179D+01 -0.170790D+01 -0.173082D+01
      6  -0.416852D+01  0.164496D+01 -0.805170D+00 -0.467189D+00  0.552064D+00
               156           157           158           159           160 
      1  -0.248493D+01  0.244821D+02  0.130797D+02 -0.117211D+01 -0.667203D+01
      2   0.295122D+00 -0.774212D+01  0.368607D+01 -0.136373D+01  0.256751D+01
      3   0.218981D+01 -0.167400D+02 -0.167658D+02  0.253584D+01  0.410452D+01
      4  -0.217777D+01  0.273045D+02  0.353357D+02 -0.467235D+01 -0.695543D+01
      5   0.541556D+01 -0.211070D+01 -0.488060D+01  0.749515D+01  0.520585D+01
      6   0.192443D+01  0.127619D-01 -0.542303D+00  0.260521D+01  0.191015D+01
               161           162           163           164           165 
      1  -0.374639D+01  0.269701D+01 -0.595154D+01  0.174423D+02  0.442299D+00
      2  -0.572596D-01 -0.780252D+00  0.100163D+02 -0.279278D+02 -0.113046D+01
      3   0.380365D+01 -0.191676D+01 -0.406472D+01  0.104855D+02  0.688158D+00
      4  -0.908345D+01  0.494046D+01 -0.100531D+02  0.612126D+01  0.141167D+01
      5   0.488326D+01 -0.159937D+01  0.406127D+00 -0.953198D+00 -0.123804D+01
      6   0.268770D+01 -0.136341D+01  0.170814D+01 -0.708806D+00 -0.345054D+01
               166           167           168           169           170 
      1   0.883887D+01 -0.282748D+02 -0.807867D+00  0.110787D+01 -0.427955D+01
      2  -0.131959D+02  0.477336D+02  0.235545D+01 -0.185142D+01  0.639167D+01
      3   0.435706D+01 -0.194588D+02 -0.154758D+01  0.743552D+00 -0.211212D+01
      4   0.984229D+01 -0.619718D+01 -0.633198D+00  0.177335D+01 -0.120684D+01
      5  -0.812235D+00  0.101870D+01  0.578207D+00  0.768162D+00  0.765320D-01
      6  -0.903094D+00  0.115408D+01  0.720576D+01 -0.188233D+01  0.533651D+01
               171           172           173           174           175 
      1  -0.280118D+01  0.685304D+02 -0.974528D+01 -0.771792D+01 -0.105182D+02
      2   0.372754D+01 -0.359958D+02 -0.265914D+01  0.704562D+01  0.107300D+01
      3  -0.926357D+00 -0.325346D+02  0.124044D+02  0.672300D+00  0.944518D+01
      4  -0.110869D+01 -0.266304D+02  0.337438D+02  0.662933D+00  0.350595D+02
      5  -0.815886D+00 -0.107659D+02 -0.113901D+00  0.160250D+02  0.112745D+01
      6   0.350996D+00  0.982383D+00 -0.468836D+00 -0.548731D+01 -0.450036D+00
               176           177           178           179           180 
      1   0.292124D+02 -0.521479D+01 -0.187373D+02  0.777458D+00  0.667482D+01
      2  -0.164634D+02  0.119053D+01  0.101637D+02  0.253721D+01 -0.123771D+02
      3  -0.127489D+02  0.402426D+01  0.857361D+01 -0.331467D+01  0.570229D+01
      4   0.428549D+01 -0.604356D+01  0.794926D+01 -0.123457D+02 -0.572500D+01
      5  -0.767492D+01 -0.217640D+00  0.211392D+02 -0.616441D+01 -0.698195D+01
      6   0.358465D+01  0.978701D+01 -0.398568D+01  0.666959D+01  0.418796D+01
               181           182           183           184           185 
      1  -0.150262D+01  0.155987D+01  0.846680D+01 -0.251781D+01  0.579635D+00
      2  -0.192964D+01 -0.450334D+00 -0.409003D+01  0.201736D+01 -0.158384D+01
      3   0.343226D+01 -0.110954D+01 -0.437677D+01  0.500447D+00  0.100421D+01
      4   0.111630D+01  0.380338D+01 -0.235534D+00  0.622325D+01  0.302395D+01
      5   0.673088D+01 -0.266277D+00  0.491795D+01 -0.103057D+00  0.533976D+01
      6  -0.515385D-02 -0.797499D+00 -0.504376D+00  0.464732D+00  0.861341D+00
               186           187           188           189           190 
      1  -0.132301D+01  0.121900D+02 -0.464594D+01 -0.152720D+02  0.200637D+02
      2   0.421226D+00 -0.955059D+01  0.375548D+00 -0.199085D+02 -0.711272D+01
      3   0.901780D+00 -0.263945D+01  0.427039D+01  0.351805D+02 -0.129510D+02
      4   0.549076D+01  0.137225D+00  0.931005D+01  0.915486D+01  0.181955D+02
      5  -0.683986D+00  0.139716D+02  0.706678D+01  0.534064D+02 -0.508704D+01
      6   0.635621D+01  0.922921D+00  0.655876D+01  0.479573D+01 -0.112641D+01
               191           192           193           194           195 
      1   0.129938D+02 -0.504540D+01  0.189706D+02  0.935251D+01 -0.747715D+00
      2  -0.372290D+01  0.184271D+01 -0.607763D+01  0.741735D+01 -0.149324D+01
      3  -0.927087D+01  0.320269D+01 -0.128929D+02 -0.167699D+02  0.224095D+01
      4   0.208741D+02 -0.236896D+01  0.248882D+02  0.418277D+02 -0.621650D+01
      5  -0.174203D+01  0.592451D+01 -0.177624D+01 -0.568035D+01  0.729834D+01
      6  -0.515545D+00  0.200569D+01 -0.463377D+00 -0.209655D+01  0.411750D+01
               196           197           198           199           200 
      1  -0.101790D+02 -0.159614D+01  0.210650D+01 -0.140986D+01 -0.161918D+00
      2   0.457930D+01 -0.760766D+00 -0.246289D+01  0.110353D+01  0.126166D+01
      3   0.559967D+01  0.235690D+01  0.356396D+00  0.306326D+00 -0.109975D+01
      4  -0.427233D+01 -0.112931D+02  0.760914D+01  0.232242D+01  0.324503D+01
      5   0.732104D+01  0.776621D+01 -0.190565D+01 -0.128938D+01 -0.111359D+01
      6   0.213676D+01  0.424939D+01 -0.252121D+01 -0.272106D+01 -0.117231D+01
               201           202           203           204           205 
      1  -0.557316D+00  0.710512D+00 -0.429916D+01  0.237773D+01 -0.142703D+01
      2   0.107132D-01  0.146175D+00  0.648286D+01 -0.451698D+01  0.298929D+00
      3   0.546603D+00 -0.856687D+00 -0.218371D+01  0.213925D+01  0.112810D+01
      4  -0.325690D+01  0.295912D+01  0.216308D+01 -0.163809D+01 -0.795429D+01
      5   0.248185D+01 -0.196032D+00 -0.141926D+01  0.160642D+01  0.386101D+01
      6   0.202026D+01 -0.743787D+00 -0.433781D+01  0.544480D+01  0.476588D+01
               206           207           208           209           210 
      1   0.126425D+02 -0.141315D+02 -0.108733D+02 -0.818797D+01  0.195327D+01
      2  -0.151918D+02  0.345302D+01  0.739538D+01  0.832881D+01 -0.103885D+01
      3   0.254932D+01  0.106785D+02  0.347796D+01 -0.140838D+00 -0.914411D+00
      4  -0.753877D+01  0.698840D+01  0.922108D+00 -0.104264D+02  0.227173D+00
      5   0.525609D+01 -0.140760D+02  0.134332D+01  0.122804D+01 -0.229393D+01
      6   0.170408D+02 -0.399213D+02 -0.666561D+00 -0.776846D+00  0.279359D+00
               211           212           213           214           215 
      1  -0.201278D+02 -0.165489D+02  0.244508D+01  0.372853D+01  0.286563D+01
      2   0.119008D+02  0.243512D+02 -0.297694D+01 -0.216871D+01 -0.317430D+01
      3   0.822700D+01 -0.780233D+01  0.531854D+00 -0.155981D+01  0.308668D+00
      4   0.370760D+01 -0.375921D+02  0.195693D+01 -0.299855D+00  0.562653D+01
      5   0.221251D+01  0.317086D+01 -0.920132D+01  0.108254D+01 -0.353877D+01
      6  -0.505274D-01 -0.157635D+01  0.344617D+01  0.406130D+00  0.349804D+01
               216 
      1  -0.152207D+01
      2   0.158055D+01
      3  -0.584707D-01
      4  -0.286024D+01
      5  -0.163304D+00
      6  -0.815575D+00
 Leave Link  716 at Wed Mar 16 20:03:12 2022, MaxMem=  5368709120 cpu:               0.2 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.121817D+03  0.168036D+01  0.305223D-03
      2   0.168036D+01  0.117067D+03 -0.400086D+00
      3   0.305223D-03 -0.400086D+00  0.973668D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.359461D+00 -0.369059D+01 -0.340171D+01
      2  -0.274838D+01  0.140531D+01  0.734616D+01
      3   0.118159D+02 -0.134937D+02 -0.276617D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.316219D+02 -0.180671D+02 -0.889771D+01
      2  -0.261560D+02  0.198456D+02  0.567647D+01
      3  -0.546586D+01 -0.177854D+01  0.322124D+01
      4   0.285251D+00 -0.608596D+01  0.785815D+00
      5  -0.524051D+01  0.112329D+01  0.124344D+02
      6  -0.420105D+01  0.577849D+01  0.518444D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    72 ND12= 1 LenFil=    2595:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.282401D+01 -0.271509D+01 -0.119797D+01 -0.330754D+01  0.324549D+01
      2  -0.271509D+01  0.403603D+01  0.316639D+00  0.324549D+01  0.292694D+00
      3  -0.119797D+01  0.316639D+00 -0.889889D+00  0.459706D+00 -0.116780D+01
                 6             7             8             9            10 
      1   0.459706D+00 -0.170022D+01  0.905742D+00  0.146644D+00  0.447542D+01
      2  -0.116780D+01  0.905742D+00 -0.200392D+01 -0.933616D+00  0.229031D+01
      3   0.501859D+00  0.146644D+00 -0.933616D+00  0.110358D+02  0.166898D+01
                11            12            13            14            15 
      1   0.229031D+01  0.166898D+01  0.223682D+01 -0.303458D+01 -0.221617D+00
      2  -0.189476D+01  0.738472D-01 -0.303458D+01 -0.182575D+01  0.652397D+00
      3   0.738472D-01 -0.152629D+01 -0.221617D+00  0.652397D+00  0.661719D+00
                16            17            18            19            20 
      1   0.318318D+01 -0.207987D+00  0.482927D+00  0.254321D+01  0.245394D+01
      2  -0.207987D+00  0.731497D+00  0.649391D+00  0.245394D+01 -0.340751D+01
      3   0.482927D+00  0.649391D+00 -0.110485D+02  0.100587D+01  0.213130D+00
                21            22            23            24            25 
      1   0.100587D+01  0.181775D+01 -0.430059D+01 -0.306307D-01  0.143431D+01
      2   0.213130D+00 -0.430059D+01 -0.262127D+01  0.140547D+01  0.552848D+00
      3   0.316452D+00 -0.306307D-01  0.140547D+01  0.140666D+01 -0.368250D+00
                26            27            28            29            30 
      1   0.552848D+00 -0.368250D+00 -0.230622D+01 -0.274239D+00 -0.107687D+01
      2   0.272306D+01  0.231457D+00 -0.274239D+00  0.372264D+01 -0.309654D+00
      3   0.231457D+00 -0.110831D+02 -0.107687D+01 -0.309654D+00 -0.391291D+00
                31            32            33            34            35 
      1   0.671751D+00  0.490487D+01  0.729027D+00 -0.181103D+01  0.169520D+00
      2   0.490487D+01  0.271618D+01 -0.116382D+01  0.169520D+00 -0.191013D+01
      3   0.729027D+00 -0.116382D+01 -0.957737D+00 -0.549791D+00  0.188827D+00
                36            37            38            39            40 
      1  -0.549791D+00  0.732731D+01 -0.149677D-01  0.862013D+00 -0.159122D+01
      2   0.188827D+00 -0.149677D-01  0.695066D-01 -0.832783D+00 -0.714374D+00
      3   0.114961D+02  0.862013D+00 -0.832783D+00 -0.289264D+00 -0.489661D+00
                41            42            43            44            45 
      1  -0.714374D+00 -0.489661D+00  0.363831D+01  0.779618D+00  0.640733D+00
      2  -0.510398D+01  0.845380D+00  0.779618D+00  0.245351D+01 -0.819285D+00
      3   0.845380D+00  0.805618D+00  0.640733D+00 -0.819285D+00 -0.163059D+01
                46            47            48            49            50 
      1  -0.443057D+01 -0.372963D+01 -0.694454D+00 -0.178321D+01  0.236347D+01
      2  -0.372963D+01  0.795439D+00  0.106508D+01  0.236347D+01  0.154553D+01
      3  -0.694454D+00  0.106508D+01  0.234589D+00  0.144942D+00 -0.899214D-01
                51            52            53            54            55 
      1   0.144942D+00 -0.283011D+01  0.299073D-01  0.639068D-02  0.377859D+01
      2  -0.899214D-01  0.299073D-01 -0.177936D+01  0.546613D+00  0.219353D+01
      3  -0.258893D+01  0.639068D-02  0.546613D+00  0.107968D+02  0.204527D+01
                56            57            58            59            60 
      1   0.219353D+01  0.204527D+01  0.334849D+01 -0.329680D+01 -0.226029D+00
      2  -0.152880D+01 -0.116085D+00 -0.329680D+01  0.761319D+01  0.133829D+01
      3  -0.116085D+00  0.139804D+01 -0.226029D+00  0.133829D+01 -0.195003D+00
                61            62            63            64            65 
      1   0.400794D+01 -0.140587D+01 -0.771230D+00  0.519112D+00  0.404358D+00
      2  -0.140587D+01  0.283107D+01  0.178141D+01  0.404358D+00 -0.742680D+00
      3  -0.771230D+00  0.178141D+01  0.336554D+00 -0.107338D+01  0.579689D-01
                66            67            68            69            70 
      1  -0.107338D+01  0.608704D+00 -0.606604D+00  0.100340D+00 -0.224945D+01
      2   0.579689D-01 -0.606604D+00  0.806456D-01 -0.118072D+01  0.138531D+00
      3  -0.108297D-01  0.100340D+00 -0.118072D+01  0.486146D+00 -0.534716D+00
                71            72            73            74            75 
      1   0.138531D+00 -0.534716D+00 -0.867680D+01  0.244289D+00 -0.161936D+01
      2  -0.212440D+01  0.911789D+00  0.244289D+00  0.117926D+01 -0.527776D+00
      3   0.911789D+00 -0.956241D+01 -0.161936D+01 -0.527776D+00  0.104926D+01
                76            77            78            79            80 
      1   0.343471D+01  0.114502D+01 -0.245765D+00 -0.421052D+01 -0.124596D+01
      2   0.114502D+01  0.442665D+01 -0.162746D+01 -0.124596D+01 -0.239037D+01
      3  -0.245765D+00 -0.162746D+01  0.123310D+01 -0.179956D+01 -0.558894D-01
                81            82            83            84            85 
      1  -0.179956D+01 -0.879153D+00 -0.386475D+00  0.116244D+01 -0.442671D+00
      2  -0.558894D-01 -0.386475D+00  0.474219D+00  0.331462D-01  0.463511D+00
      3  -0.421679D+00  0.116244D+01  0.331462D-01 -0.108590D+00  0.423863D-01
                86            87            88            89            90 
      1   0.463511D+00  0.423863D-01  0.210495D+01  0.196387D+00 -0.764126D+00
      2   0.110705D+00  0.123844D+01  0.196387D+00  0.212698D+01 -0.592734D+00
      3   0.123844D+01 -0.558610D+00 -0.764126D+00 -0.592734D+00  0.957164D+01
                91            92            93            94            95 
      1  -0.174940D+00 -0.505214D+00  0.111572D+01 -0.320240D+00  0.706303D+00
      2  -0.505214D+00  0.650399D+00  0.593756D-01  0.706303D+00  0.544614D+00
      3   0.111572D+01  0.593756D-01  0.137531D+00  0.948960D-01  0.118530D+01
                96            97            98            99           100 
      1   0.948960D-01  0.217750D+01 -0.912797D-01  0.411969D+00  0.476734D+01
      2   0.118530D+01 -0.912797D-01  0.217622D+01  0.553699D+00  0.811668D+00
      3   0.708720D-01  0.411969D+00  0.553699D+00  0.982508D+01 -0.119501D+01
               101           102           103           104           105 
      1   0.811668D+00 -0.119501D+01 -0.432380D+00  0.488807D+01  0.183182D+00
      2   0.661419D+01  0.256980D-01  0.488807D+01  0.325616D+01 -0.116310D+01
      3   0.256980D-01  0.497651D+00  0.183182D+00 -0.116310D+01 -0.137534D+01
               106           107           108           109           110 
      1  -0.153968D+01 -0.347001D+00  0.104144D+01  0.247779D+01  0.329264D+00
      2  -0.347001D+00 -0.325088D+01  0.146796D+01  0.329264D+00 -0.319241D+01
      3   0.104144D+01  0.146796D+01 -0.432362D-01  0.199109D+01  0.444818D+00
               111           112           113           114           115 
      1   0.199109D+01  0.812904D+00 -0.539577D+01  0.858634D-01  0.289704D+01
      2   0.444818D+00 -0.539577D+01 -0.363973D+01  0.163340D+01 -0.175833D+00
      3   0.138600D+01  0.858634D-01  0.163340D+01 -0.829073D+00 -0.107142D+01
               116           117           118           119           120 
      1  -0.175833D+00 -0.107142D+01  0.116646D+01  0.271277D+00 -0.124237D+01
      2   0.200468D+01 -0.165007D+01  0.271277D+00 -0.436996D+00  0.693734D-01
      3  -0.165007D+01 -0.972335D+01 -0.124237D+01  0.693734D-01  0.754978D+00
               121           122           123           124           125 
      1   0.187572D+00 -0.508805D+00 -0.339696D+00 -0.255985D+01 -0.278598D+00
      2  -0.508805D+00 -0.156943D-01 -0.120270D+01 -0.278598D+00 -0.200279D+01
      3  -0.339696D+00 -0.120270D+01  0.167920D+00  0.130264D+01  0.269033D+00
               126           127           128           129           130 
      1   0.130264D+01 -0.108814D+01 -0.169719D+01  0.235785D+00 -0.184807D+01
      2   0.269033D+00 -0.169719D+01 -0.777202D+00 -0.246966D+00 -0.150708D+01
      3  -0.977737D+01  0.235785D+00 -0.246966D+00  0.729328D+00 -0.291851D+00
               131           132           133           134           135 
      1  -0.150708D+01 -0.291851D+00 -0.176808D+00 -0.330492D+00  0.480086D+00
      2  -0.978566D+01 -0.372429D+00 -0.330492D+00 -0.209286D+01  0.652872D+00
      3  -0.372429D+00  0.130666D+01  0.480086D+00  0.652872D+00 -0.704142D+01
               136           137           138           139           140 
      1   0.314919D+00  0.166497D+00 -0.129445D+01  0.146311D+00 -0.501470D+00
      2   0.166497D+00 -0.267135D+00 -0.211850D+00 -0.501470D+00 -0.109763D+01
      3  -0.129445D+01 -0.211850D+00 -0.560604D-01  0.221745D-01 -0.116924D+01
               141           142           143           144           145 
      1   0.221745D-01 -0.217321D+01 -0.539439D+00 -0.469173D+00 -0.970900D+01
      2  -0.116924D+01 -0.539439D+00 -0.219594D+01 -0.180921D+01  0.200174D+01
      3  -0.401157D+00 -0.469173D+00 -0.180921D+01 -0.964678D+01 -0.895684D+00
               146           147           148           149           150 
      1   0.200174D+01 -0.895684D+00  0.308559D+00 -0.659032D+00 -0.527623D-01
      2  -0.245052D+01 -0.723273D-01 -0.659032D+00  0.267649D+00 -0.222246D+00
      3  -0.723273D-01 -0.176909D+01 -0.527623D-01 -0.222246D+00  0.317638D+00
               151           152           153           154           155 
      1  -0.242782D+01  0.419848D+00 -0.997164D+00 -0.351017D+01 -0.242667D+01
      2   0.419848D+00 -0.728101D+00  0.284230D+00 -0.242667D+01 -0.291555D+01
      3  -0.997164D+00  0.284230D+00 -0.261687D+00  0.290017D+00  0.240505D+00
               156           157           158           159           160 
      1   0.290017D+00 -0.487853D+01 -0.349586D+01  0.214588D+00  0.141009D+01
      2   0.240505D+00 -0.349586D+01 -0.578197D+01  0.734782D+00  0.955193D+00
      3  -0.106423D+01  0.214588D+00  0.734782D+00 -0.135909D+01 -0.715109D+00
               161           162           163           164           165 
      1   0.955193D+00 -0.715109D+00 -0.245802D+01  0.150512D+01  0.342860D+00
      2   0.155252D+01 -0.688034D+00  0.150512D+01 -0.446680D+01 -0.655521D-01
      3  -0.688034D+00  0.224084D+00  0.342860D+00 -0.655521D-01 -0.606361D+00
               166           167           168           169           170 
      1   0.227787D+01 -0.168603D+01 -0.197622D+00  0.524087D+00 -0.279605D+00
      2  -0.168603D+01  0.767770D+01  0.206646D+00 -0.279605D+00  0.103474D+01
      3  -0.197622D+00  0.206646D+00  0.150613D+01 -0.178195D+00  0.705011D+00
               171           172           173           174           175 
      1  -0.178195D+00  0.871831D+01 -0.269964D+01 -0.150893D+01 -0.109423D+01
      2   0.705011D+00 -0.269964D+01  0.405246D+01 -0.145101D+00  0.426777D+01
      3  -0.696803D-01 -0.150893D+01 -0.145101D+00  0.277774D+00 -0.156686D-01
               176           177           178           179           180 
      1   0.426777D+01 -0.156686D-01 -0.282190D+01  0.776703D+00  0.205077D+01
      2   0.213247D+01 -0.951562D+00  0.776703D+00 -0.191266D+01 -0.756563D+00
      3  -0.951562D+00  0.117086D+01  0.205077D+01 -0.756563D+00 -0.645383D+00
               181           182           183           184           185 
      1  -0.452071D+00  0.313341D+00  0.119159D+01 -0.345643D+00  0.846448D+00
      2   0.313341D+00  0.318522D+00 -0.157182D+00  0.846448D+00  0.518981D+00
      3   0.119159D+01 -0.157182D+00 -0.371691D+00 -0.437908D-01  0.108300D+01
               186           187           188           189           190 
      1  -0.437908D-01  0.261157D+01 -0.233177D+00  0.149737D+01  0.297438D+01
      2   0.108300D+01 -0.233177D+00  0.182691D+01  0.130361D+01  0.244602D+01
      3  -0.582515D-01  0.149737D+01  0.130361D+01  0.101734D+02 -0.873957D+00
               191           192           193           194           195 
      1   0.244602D+01 -0.873957D+00  0.371325D+01  0.318473D+01 -0.279200D+00
      2   0.263656D+01 -0.265768D+00  0.318473D+01  0.679330D+01 -0.103101D+01
      3  -0.265768D+00  0.702703D+00 -0.279200D+00 -0.103101D+01  0.115592D+01
               196           197           198           199           200 
      1  -0.188494D+01 -0.487820D+00  0.974017D+00 -0.399882D+00 -0.452276D+00
      2  -0.487820D+00 -0.191887D+01  0.119619D+01 -0.452276D+00 -0.454777D+00
      3   0.974017D+00  0.119619D+01 -0.151641D+00  0.516276D+00  0.228791D+00
               201           202           203           204           205 
      1   0.516276D+00 -0.508551D+00 -0.195128D+00  0.962242D-01  0.173983D+01
      2   0.228791D+00 -0.195128D+00 -0.121793D+01  0.705212D+00  0.590366D+00
      3  -0.367586D+00  0.962242D-01  0.705212D+00 -0.795425D+00 -0.888490D+00
               206           207           208           209           210 
      1   0.590366D+00 -0.888490D+00 -0.215388D+01 -0.529966D+00  0.244519D+00
      2   0.377460D+01 -0.285309D+01 -0.529966D+00 -0.201409D+01  0.122675D+00
      3  -0.285309D+01  0.754372D+01  0.244519D+00  0.122675D+00 -0.331344D-01
               211           212           213           214           215 
      1  -0.301242D+01 -0.113562D+00  0.260965D+00  0.656710D+00  0.108391D+00
      2  -0.113562D+00 -0.688683D+01  0.313695D+00  0.108391D+00  0.107450D+01
      3   0.260965D+00  0.313695D+00 -0.167249D+01  0.722406D-01 -0.583609D+00
               216 
      1   0.722406D-01
      2  -0.583609D+00
      3   0.103639D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.132747D+01  0.206460D+00 -0.149343D+01 -0.185032D+01  0.519941D+00
      2   0.156016D+01 -0.600242D+00  0.344390D+00 -0.367291D+00  0.228318D+01
      3  -0.340153D+01 -0.181993D+01 -0.104827D+01  0.307489D+01  0.208280D+01
                 6             7             8             9            10 
      1   0.200332D+00 -0.324971D+00  0.447919D+01 -0.839257D+01  0.825736D+00
      2   0.117822D+01 -0.293641D+01  0.746734D+00 -0.973391D+01 -0.235562D+01
      3  -0.183977D+00  0.183670D+00 -0.164370D+01 -0.836940D+00  0.670367D+00
                11            12            13            14            15 
      1  -0.883485D+00 -0.401664D-01  0.556444D+00 -0.141852D+01 -0.150262D+01
      2  -0.160949D+01  0.302755D+00 -0.210383D-01 -0.235479D+01 -0.227742D+01
      3  -0.566189D+01 -0.693906D+00 -0.288357D+00 -0.768216D+00  0.199886D+01
                16            17            18            19            20 
      1  -0.377554D+00  0.247806D+01 -0.505180D+01 -0.925091D+00 -0.429839D+00
      2  -0.419487D+01 -0.144679D+01  0.128006D+02 -0.115189D+01  0.481936D+00
      3  -0.186822D+01  0.145719D+01  0.712837D+00  0.132865D+01  0.663650D+00
                21            22            23            24            25 
      1   0.138680D+01 -0.386454D+00 -0.219405D+01  0.301037D+00  0.165089D+01
      2   0.157882D+01 -0.108970D+01  0.395934D+00 -0.653866D+00 -0.335638D+01
      3   0.130698D+01  0.627215D+01 -0.476539D+01 -0.139560D+01  0.142534D+01
                26            27            28            29            30 
      1   0.305575D+01  0.102829D+02  0.937249D+00 -0.222075D+00  0.189427D+01
      2  -0.419215D+00 -0.234455D+01 -0.234777D+01 -0.452380D+00  0.696644D-01
      3   0.375748D+00 -0.710913D+00 -0.583718D+01 -0.992116D+01 -0.700454D+00
                31            32            33            34            35 
      1  -0.103176D+01  0.161766D+01  0.221750D+01  0.181455D+01  0.294411D+01
      2  -0.100110D+01 -0.158405D+01 -0.245113D+01 -0.460945D+01  0.218526D+01
      3  -0.745184D+01 -0.258334D+01  0.224347D+01 -0.117662D+00  0.130414D+01
                36            37            38            39            40 
      1  -0.463144D+01  0.109328D+01  0.180657D+00 -0.341816D+01  0.879122D+00
      2   0.175431D+02  0.972536D+00  0.477705D+00  0.102457D+02  0.206973D+00
      3  -0.475040D+00 -0.972714D+01 -0.854280D+01 -0.944352D+00  0.129062D+02
                41            42            43            44            45 
      1   0.523780D+00 -0.739420D+01  0.269984D+01  0.516109D+01  0.375343D+00
      2   0.113323D+01  0.286484D+01 -0.648072D+01 -0.272408D+01  0.105304D+01
      3   0.547108D+01 -0.794298D+00 -0.414873D+01 -0.262378D+01 -0.345876D+00
                46            47            48            49            50 
      1  -0.405860D+00  0.859237D-01  0.212013D+01 -0.351367D+00 -0.702603D+00
      2   0.135897D+01  0.845166D-01 -0.603386D+01 -0.765729D+00  0.129691D+01
      3   0.354464D+01  0.663671D+01  0.118096D+01  0.361693D+01  0.228296D+01
                51            52            53            54            55 
      1  -0.562654D+00 -0.160261D+01  0.322674D+01  0.138438D+02 -0.428528D+01
      2  -0.519905D+00 -0.373637D+01 -0.201283D+01 -0.107235D+02 -0.758025D+01
      3  -0.170633D+01  0.372865D+01 -0.144929D+01  0.376845D+00  0.150970D+02
                56            57            58            59            60 
      1   0.129244D-01  0.159232D+00  0.142371D+01 -0.220705D+01 -0.637612D+01
      2   0.209470D+01  0.167824D+01  0.441883D+00 -0.213196D+01 -0.263698D+01
      3  -0.247891D+01  0.340808D+01  0.827943D+01  0.933631D+01  0.122118D+01
                61            62            63            64            65 
      1   0.357358D+00  0.131535D+01 -0.284418D+01  0.797780D+00 -0.419346D-01
      2  -0.501152D+01 -0.183114D+01 -0.296445D+01  0.160468D+01 -0.181407D+00
      3   0.686894D+01  0.403358D+01  0.180888D+01  0.836719D+00 -0.141932D+01
                66            67            68            69            70 
      1  -0.480166D+00 -0.569826D-01  0.142367D+01 -0.101271D+01  0.125168D-01
      2   0.927109D+00 -0.681762D-01  0.921576D+00  0.512222D-01 -0.424126D+01
      3  -0.915043D+00  0.111535D+01 -0.411750D+00 -0.116994D+01 -0.232937D+01
                71            72            73            74            75 
      1   0.394053D+01  0.872811D+01 -0.215798D+01 -0.909647D+00 -0.499960D-01
      2  -0.572797D+00  0.101788D+02  0.498174D+01  0.313309D+01  0.647394D+01
      3  -0.219593D+01  0.691882D+00  0.888000D+01 -0.353208D+01 -0.394993D+00
                76            77            78            79            80 
      1  -0.299024D+01 -0.278910D+01 -0.130623D+01  0.638630D+00  0.505418D+01
      2   0.237907D+01  0.557575D+01 -0.280774D+01 -0.883058D+00 -0.107516D+01
      3   0.617883D+01  0.171580D+02 -0.373569D+01  0.431284D+00 -0.789575D+01
                81            82            83            84            85 
      1  -0.111071D+01  0.379198D+00  0.374030D+00  0.442494D+00  0.572194D+00
      2   0.404021D+01 -0.187297D+01  0.264442D-01  0.614244D+00  0.344055D+00
      3   0.130068D+01 -0.148154D-01 -0.293074D+00 -0.337306D+00  0.181605D+01
                86            87            88            89            90 
      1   0.695400D+00 -0.170502D+01 -0.441636D-01  0.449695D+01  0.367479D+01
      2  -0.188940D+01  0.412586D+00 -0.358259D+01  0.687306D+00 -0.138823D+02
      3   0.265395D+00  0.151498D+01 -0.739446D+00  0.333535D+01 -0.104672D-01
                91            92            93            94            95 
      1  -0.172103D+01  0.135201D+00  0.104404D+00 -0.117637D+00 -0.144591D+01
      2   0.380872D+00  0.623896D+00  0.766069D+00  0.561581D+00  0.263118D+00
      3   0.870397D-01 -0.179034D+01  0.133902D+01  0.576991D+00  0.420999D+00
                96            97            98            99           100 
      1  -0.635335D+00 -0.578433D+00  0.397070D+01 -0.112253D+02  0.284926D+01
      2  -0.316640D+00 -0.514821D+01  0.226794D+00  0.228659D+01  0.553796D-01
      3  -0.222750D+00  0.279700D+01 -0.102098D+01  0.178652D+00  0.151637D+02
               101           102           103           104           105 
      1  -0.120588D+01 -0.399743D+01 -0.928255D+00  0.522445D+01 -0.467320D+01
      2  -0.153594D+01  0.397803D+01  0.633327D+00  0.410926D+00  0.173547D+01
      3  -0.112898D+02 -0.223425D+01 -0.605501D+00  0.939983D+01  0.160093D+01
               106           107           108           109           110 
      1  -0.272498D+01  0.217752D+01  0.271323D+01 -0.195380D+01 -0.151532D+01
      2  -0.299331D+01  0.129674D+01 -0.649920D+00  0.445040D+01  0.139328D+01
      3  -0.513202D+01  0.170955D+01  0.120861D+01  0.361701D+01  0.786742D+01
               111           112           113           114           115 
      1  -0.272271D+01 -0.295924D+01 -0.383717D+01  0.987956D+00  0.199368D+00
      2   0.181089D+01  0.214882D+01  0.598913D+01  0.366046D+00 -0.742414D+01
      3  -0.591317D+00  0.173326D+02  0.611405D+01 -0.436313D+01  0.762391D+00
               116           117           118           119           120 
      1   0.239916D+01  0.575618D+01  0.368177D+00  0.507004D+00  0.348588D+00
      2  -0.420253D+01 -0.235262D+02 -0.139187D+01  0.233009D+00  0.202641D+01
      3  -0.577913D+01  0.415588D+01 -0.121370D+00  0.303096D+00 -0.485759D+00
               121           122           123           124           125 
      1   0.184561D+00  0.977094D-01 -0.749266D+00 -0.896857D-01  0.451165D+01
      2  -0.526785D+00 -0.191217D+01  0.254999D+00 -0.390024D+01  0.166123D-01
      3   0.278607D+01 -0.772865D+00  0.179795D+01 -0.276158D+00  0.342334D+01
               126           127           128           129           130 
      1   0.288411D+01  0.205364D+00 -0.855874D+00  0.113009D+01 -0.133466D+00
      2  -0.134199D+02 -0.359529D+00 -0.129364D+01  0.466522D+01  0.787207D+00
      3  -0.115966D+01  0.178482D+01 -0.236201D+01  0.422990D+00  0.109554D+02
               131           132           133           134           135 
      1  -0.667670D-01 -0.581380D+01  0.275501D+01  0.607848D+01 -0.198987D+02
      2   0.598897D-02  0.508229D+00 -0.128837D+01 -0.721833D+00  0.600211D+01
      3  -0.589513D+01  0.457770D+00 -0.918252D-01  0.871798D-01 -0.949560D+00
               136           137           138           139           140 
      1  -0.230269D+01 -0.257335D+00 -0.315172D+00  0.378835D+00 -0.134731D+01
      2   0.953987D+00  0.113574D+00  0.868470D+00  0.697890D+00  0.765247D+00
      3  -0.151064D+00 -0.191981D+01  0.219293D+01  0.209453D+00  0.338811D+00
               141           142           143           144           145 
      1  -0.104652D+01 -0.103057D+00  0.279469D+01 -0.133873D+02  0.274786D+01
      2   0.535236D-01 -0.451530D+01  0.104131D+01  0.797624D+01  0.609957D+01
      3  -0.727013D+00  0.371700D+01 -0.588690D+00  0.429856D+00 -0.190472D+02
               146           147           148           149           150 
      1  -0.757767D-01  0.333464D+01  0.203523D+00  0.676226D+00 -0.254504D+00
      2  -0.689631D+00  0.536972D+01  0.669399D-01  0.492851D+00 -0.400521D+00
      3  -0.351081D+01 -0.261906D+01 -0.123916D+01 -0.242796D+01 -0.792572D+00
               151           152           153           154           155 
      1   0.207023D+01  0.237493D+00  0.631063D+00  0.121472D+01  0.145665D+01
      2   0.267939D+01 -0.755090D+00  0.120598D+01 -0.191361D+01 -0.169434D+01
      3  -0.525137D+01 -0.139342D+01 -0.158153D+01 -0.521254D+01 -0.737401D+01
               156           157           158           159           160 
      1  -0.137652D+01  0.217212D+01  0.270226D+01 -0.248000D+01 -0.122738D+01
      2   0.311879D+01 -0.236622D+01 -0.411315D+01  0.461417D+01  0.150454D+01
      3   0.584400D+00 -0.525961D+01 -0.182904D+02  0.250592D+01  0.142300D+01
               161           162           163           164           165 
      1  -0.544448D+00  0.715620D+00 -0.179568D+01  0.166777D+01  0.259466D+01
      2   0.255982D+01 -0.968359D+00 -0.259114D+00  0.646497D+00 -0.188476D+00
      3   0.498206D+01 -0.156843D+01 -0.120697D+02  0.823504D+01  0.147833D+01
               166           167           168           169           170 
      1   0.147908D+01 -0.251573D+01 -0.458874D+01  0.828799D+00 -0.137827D+01
      2   0.443066D+00 -0.930008D+00 -0.706074D-01 -0.916825D+00  0.722303D-01
      3   0.996713D+01 -0.118466D+02 -0.871045D+00  0.257685D+01 -0.165459D+01
               171           172           173           174           175 
      1  -0.187227D+00 -0.506778D+00 -0.659785D+00  0.385030D+01  0.330354D+00
      2  -0.219467D+00 -0.495500D+01  0.970126D+00  0.792049D+01 -0.140043D+01
      3  -0.102313D+01  0.177631D+01 -0.212547D+02  0.151885D+00 -0.119734D+02
               176           177           178           179           180 
      1  -0.265628D+01 -0.400665D+01 -0.923910D-01  0.484606D+01 -0.220141D+01
      2  -0.330062D+01 -0.253995D+00  0.240675D+01 -0.227881D+01 -0.348899D+01
      3  -0.101307D+02  0.351540D+01  0.419577D+00  0.727325D+01  0.197540D+01
               181           182           183           184           185 
      1  -0.312598D+00  0.341720D-01 -0.794083D-02  0.451272D+00 -0.191963D+00
      2   0.416496D+01 -0.861612D+00 -0.351955D+00 -0.251416D+00  0.273823D+01
      3  -0.136784D+01 -0.140622D+01  0.863656D+00 -0.115253D+01 -0.932944D+00
               186           187           188           189           190 
      1  -0.194055D+00 -0.110115D+01  0.389681D+01 -0.445877D+01  0.161897D+01
      2  -0.160843D+00 -0.148358D+01  0.398684D+01  0.265375D+02 -0.282963D+01
      3  -0.268358D+01  0.188501D+01 -0.501336D+01 -0.324502D+01 -0.463356D+01
               191           192           193           194           195 
      1   0.926666D+00 -0.145721D+01  0.131135D+01  0.266570D+01 -0.303076D+01
      2  -0.127507D+01  0.327562D+01 -0.136326D+01 -0.398971D+01  0.408982D+01
      3  -0.719346D+01  0.312586D+00 -0.401385D+01 -0.190936D+02  0.293384D+01
               196           197           198           199           200 
      1  -0.940992D+00 -0.196382D+00  0.547656D+00  0.148603D+01  0.557117D+00
      2   0.195170D+01  0.352475D+01 -0.907227D+00 -0.726388D+00 -0.555580D+00
      3  -0.246806D+00  0.559580D+01 -0.288371D+01  0.546817D+00  0.326051D+00
               201           202           203           204           205 
      1  -0.120790D+01  0.952937D-01  0.271605D+01 -0.200989D+01 -0.296430D+01
      2   0.204909D+00 -0.605467D+00 -0.837133D+00  0.910329D+00 -0.172535D+01
      3  -0.125398D+01  0.100060D+01 -0.481204D+00  0.420694D+00 -0.419670D+01
               206           207           208           209           210 
      1  -0.588357D+01  0.227296D+02  0.515684D+00  0.912385D+00 -0.798809D+00
      2   0.260571D+01 -0.689028D+01  0.116146D+01  0.270650D+00 -0.981726D+00
      3   0.178248D+01  0.978974D-01  0.741339D+01  0.920513D+01 -0.822784D+00
               211           212           213           214           215 
      1   0.766746D+00  0.270955D+01 -0.304803D+01 -0.180298D-01 -0.528614D+00
      2   0.111580D+01  0.770914D+00 -0.448982D+01 -0.102516D+01 -0.174847D+01
      3   0.680687D+01  0.263685D+02 -0.156337D+01 -0.182042D+01 -0.410104D+01
               216 
      1   0.306685D+00
      2   0.930442D-01
      3   0.185285D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.633008D+01 -0.264298D+01  0.841091D-01  0.680218D+01 -0.272018D+00
      2  -0.628632D+01  0.127043D+02 -0.184855D+01  0.167176D+01 -0.760038D+01
      3  -0.437509D-01 -0.100613D+02  0.176444D+01 -0.847393D+01  0.787239D+01
      4   0.847086D+01 -0.154707D+02 -0.166305D+01 -0.189130D+02  0.108226D+02
      5   0.443866D+01 -0.217274D+01 -0.376158D+01 -0.460252D+01  0.138853D+01
      6  -0.123643D+01  0.370801D+01  0.448411D+01  0.358708D+01 -0.418853D+01
                 6             7             8             9            10 
      1   0.780540D+00  0.430327D+01  0.617172D+00  0.105356D+02 -0.253995D+02
      2   0.424531D+00  0.100732D+01 -0.742434D+01  0.762861D+01  0.127277D+02
      3  -0.120507D+01 -0.531060D+01  0.680717D+01 -0.181642D+02  0.126718D+02
      4   0.250986D+01 -0.499696D+01  0.792064D+01  0.260630D+01 -0.839054D+01
      5   0.417590D+01 -0.243060D+00  0.288586D+01 -0.237665D+02 -0.856364D+01
      6  -0.672185D+01  0.181198D+01 -0.220207D+01  0.217476D+02 -0.125146D+01
                11            12            13            14            15 
      1  -0.782859D+01 -0.212978D+01 -0.119219D+02  0.883202D+01  0.144377D+01
      2   0.395020D+01  0.480903D+01  0.767682D+01 -0.327372D+01 -0.652951D+00
      3   0.387839D+01 -0.267925D+01  0.424511D+01 -0.555830D+01 -0.790815D+00
      4  -0.537652D+01 -0.105197D+01  0.735244D+01  0.293691D+01 -0.869905D+00
      5  -0.181583D+01 -0.548379D+01 -0.278716D+00  0.119219D+00 -0.542397D+01
      6  -0.301686D+01 -0.772762D+00 -0.107760D+01 -0.899886D+00 -0.489911D+00
                16            17            18            19            20 
      1  -0.147921D+02 -0.211249D+01  0.922676D+01 -0.931860D+01  0.940493D+01
      2   0.714857D+01 -0.411138D+00  0.866201D+01  0.708292D+01 -0.151864D+02
      3   0.764349D+01  0.252362D+01 -0.178888D+02  0.223568D+01  0.578144D+01
      4  -0.115332D+01 -0.146718D+01 -0.239865D+01  0.157412D+01 -0.376116D+01
      5  -0.238773D+01 -0.282785D+01  0.329916D+02  0.213484D+01  0.161834D+01
      6  -0.529223D+00 -0.964208D+00  0.126661D+02  0.808527D+00  0.186727D+01
                21            22            23            24            25 
      1  -0.743531D+00  0.546397D+01  0.633156D+01 -0.424095D+01 -0.846930D+00
      2  -0.121032D+01 -0.116769D+02 -0.145473D+02  0.495129D+00  0.428444D+01
      3   0.195385D+01  0.621293D+01  0.821574D+01  0.374582D+01 -0.343751D+01
      4   0.118527D+01 -0.822284D+01 -0.130981D+02 -0.515068D+00  0.417085D+01
      5  -0.206254D+01  0.236350D+01  0.140849D+01 -0.169837D+01  0.587807D-01
      6  -0.319962D+01 -0.346897D+00  0.564391D+01 -0.634799D+01 -0.167009D+01
                26            27            28            29            30 
      1  -0.377897D+01  0.938592D+01 -0.116088D+02 -0.125340D+01 -0.473812D+01
      2   0.100295D+02  0.112160D+02  0.434952D+01  0.744827D-01  0.173955D+01
      3  -0.625052D+01 -0.206019D+02  0.725925D+01  0.117892D+01  0.299857D+01
      4   0.405880D+01 -0.973304D+00 -0.833606D+01 -0.761632D+00 -0.221172D+01
      5  -0.469857D+00 -0.618535D+01 -0.543206D+01 -0.113879D+01 -0.538017D+01
      6   0.522517D+00 -0.264256D+02 -0.276755D+01  0.116879D-01 -0.379205D+01
                31            32            33            34            35 
      1  -0.547130D+00  0.191153D+02 -0.373707D+00 -0.426324D+01 -0.142010D+00
      2   0.145257D+01 -0.192324D+02 -0.334880D+01 -0.125266D+01 -0.224048D+01
      3  -0.905435D+00  0.117060D+00  0.372251D+01  0.551590D+01  0.238249D+01
      4  -0.614531D+01  0.696044D+00 -0.265645D+01  0.187808D+01 -0.148330D+01
      5   0.246935D+01 -0.189286D+01 -0.710618D+01 -0.362739D+01  0.720756D+00
      6  -0.340381D+00  0.113828D+01 -0.794733D+01 -0.181556D+01 -0.802480D+00
                36            37            38            39            40 
      1   0.958778D+01  0.215172D+02 -0.302223D+01 -0.885606D+00 -0.902478D-01
      2   0.102612D+02 -0.152729D+02  0.260996D+01 -0.112628D+01 -0.544508D+00
      3  -0.198489D+02 -0.624436D+01  0.412268D+00  0.201188D+01  0.634755D+00
      4   0.118980D+01 -0.818601D+01  0.145200D+02 -0.169804D+01  0.156391D+02
      5   0.345750D+02  0.220014D+01 -0.145903D+00  0.188825D+02 -0.200275D+01
      6   0.586741D+01 -0.664940D+00  0.280130D+01  0.814381D+01  0.378881D+00
                41            42            43            44            45 
      1  -0.151063D+02  0.318251D+01  0.653308D+01  0.446797D+01 -0.715265D+01
      2   0.212555D+02 -0.226458D-01 -0.636486D+01 -0.478503D+01 -0.552841D+01
      3  -0.614927D+01 -0.315986D+01 -0.168222D+00  0.317061D+00  0.126811D+02
      4  -0.131374D+01  0.152670D+01 -0.527909D+01  0.172990D+01 -0.283465D+01
      5   0.577814D+00  0.737626D+01  0.763207D+01 -0.328118D+00  0.112809D+01
      6  -0.342762D+01  0.131393D+02 -0.736888D+00  0.776189D+01  0.295246D+00
                46            47            48            49            50 
      1  -0.213192D+02  0.895440D+01  0.545946D+01 -0.318919D+01  0.869380D+01
      2   0.202457D+02 -0.105877D+02 -0.152718D+01 -0.251843D+01 -0.229649D+02
      3   0.107346D+01  0.163331D+01 -0.393227D+01  0.570761D+01  0.142711D+02
      4   0.491364D+01 -0.857042D+01  0.513497D+00 -0.143143D+02 -0.127972D+02
      5   0.306785D+00  0.764240D-01 -0.140109D+02  0.144981D+01  0.275376D+00
      6  -0.356609D+00 -0.305136D+01 -0.655677D+01  0.296399D+00  0.816232D+00
                51            52            53            54            55 
      1  -0.312483D+00  0.253101D+01 -0.123265D+01  0.124216D+02 -0.222856D+02
      2  -0.265593D+00  0.675273D+00  0.101019D+02  0.107338D+02  0.162535D+02
      3   0.578076D+00 -0.320629D+01 -0.886921D+01 -0.231554D+02  0.603212D+01
      4   0.683475D+00  0.479704D+01  0.382302D-01  0.965247D+00  0.635516D+01
      5  -0.899005D+00 -0.316242D+01 -0.168519D+01 -0.178634D+02 -0.102873D+02
      6  -0.604933D+01 -0.398248D+00 -0.370627D+01 -0.335986D+02  0.910445D+01
                56            57            58            59            60 
      1   0.943502D-01 -0.717612D+01 -0.571644D+01 -0.112245D+02 -0.433245D+01
      2  -0.604851D+01  0.577159D+01 -0.477270D+01  0.302965D+02  0.281385D+01
      3   0.595416D+01  0.140453D+01  0.104891D+02 -0.190721D+02  0.151860D+01
      4   0.190152D+02  0.687645D+01  0.285843D+02 -0.354015D+02 -0.556621D+01
      5   0.231201D+01  0.651843D+01  0.273225D+01 -0.559398D+01 -0.494886D+01
      6  -0.296129D+01 -0.803111D+00 -0.289232D+01  0.799338D+01  0.128875D+02
                61            62            63            64            65 
      1  -0.136389D+02 -0.246490D+01 -0.783388D+01 -0.422724D+00 -0.388612D+00
      2   0.534379D+01  0.827013D+01 -0.193557D+00 -0.254524D+01 -0.746118D+00
      3   0.829511D+01 -0.580523D+01  0.802744D+01  0.296796D+01  0.113473D+01
      4   0.169805D+02 -0.138341D+02 -0.696387D+01 -0.725239D+00  0.406306D+01
      5   0.850473D+01 -0.781114D+01 -0.635160D+01  0.297563D+01 -0.506421D+00
      6  -0.388022D+01  0.137542D+02  0.579550D+01 -0.244641D+01 -0.532698D+00
                66            67            68            69            70 
      1   0.295670D+01 -0.451026D+00 -0.297960D+01  0.234672D+01  0.404789D+01
      2  -0.166929D+01 -0.677292D+00  0.948571D+00 -0.277562D+01 -0.280486D+01
      3  -0.128740D+01  0.112832D+01  0.203103D+01  0.428898D+00 -0.124303D+01
      4  -0.250642D+01  0.396762D+01 -0.146812D+01  0.298588D+01 -0.454961D+01
      5   0.714790D+01  0.751050D-01  0.269645D+01 -0.565841D+00  0.601835D+01
      6   0.659558D+00  0.269028D+00 -0.348336D+01  0.779646D+01 -0.147757D+01
                71            72            73            74            75 
      1   0.359302D+01 -0.174479D+02  0.590364D+02 -0.240878D+01  0.660542D+01
      2  -0.327890D+01 -0.158517D+02 -0.372663D+02 -0.103355D+01 -0.676937D+01
      3  -0.314113D+00  0.332996D+02 -0.217701D+02  0.344232D+01  0.163949D+00
      4   0.506418D+01 -0.193272D+01  0.196281D+01  0.306623D+01  0.412748D+01
      5  -0.215906D+01  0.230273D+02  0.130323D+02  0.383934D+01  0.131406D+02
      6   0.664003D+01 -0.217770D+02  0.233945D+01  0.200114D+01  0.438280D+00
                76            77            78            79            80 
      1  -0.158578D+02 -0.879687D+01 -0.160347D+00  0.216936D+02  0.452377D+01
      2   0.547228D+01  0.198629D+01  0.170375D+01 -0.127250D+02  0.282939D+00
      3   0.103856D+02  0.681059D+01 -0.154340D+01 -0.896860D+01 -0.480671D+01
      4  -0.854403D+01 -0.263760D+02  0.823623D+01  0.981878D+01  0.138836D+02
      5   0.302846D+01  0.914584D+01 -0.398889D+01  0.174715D+02  0.457866D-01
      6   0.109581D+01  0.261001D+01  0.478519D+01  0.234020D+01  0.504811D+01
                81            82            83            84            85 
      1   0.387094D+01  0.322898D+01  0.157078D+01 -0.502749D+01  0.145442D+01
      2  -0.112835D+02 -0.472785D+01 -0.120362D+01  0.299682D+01 -0.987190D+00
      3   0.741252D+01  0.149887D+01 -0.367158D+00  0.203067D+01 -0.467227D+00
      4   0.228566D+00  0.139324D+01  0.111227D+01 -0.827172D+00  0.110717D+01
      5   0.824953D+01 -0.418418D+01 -0.204425D+00  0.671491D+01  0.963162D-01
      6   0.224474D+01 -0.835240D+00  0.328671D+00 -0.386552D+00 -0.704805D+00
                86            87            88            89            90 
      1  -0.499281D+01  0.179940D+01 -0.701381D+01  0.136786D+01 -0.164752D+02
      2   0.103934D+01 -0.119279D+01  0.546723D+01 -0.113605D+01 -0.167762D+02
      3   0.395346D+01 -0.606610D+00  0.154658D+01 -0.231814D+00  0.332514D+02
      4   0.993782D-01 -0.407309D+01 -0.254048D+01 -0.587090D+01  0.147701D+01
      5  -0.443442D+01  0.109667D+01  0.734028D+01  0.226622D+01 -0.320863D+02
      6  -0.206433D+01  0.859063D+01  0.638206D+00  0.596312D+01 -0.958427D+01
                91            92            93            94            95 
      1   0.176658D+01 -0.140160D+01  0.984811D+00 -0.203752D+01 -0.412807D+01
      2  -0.486718D+01  0.197727D+01 -0.329762D+00  0.230526D+01  0.167082D+01
      3   0.310061D+01 -0.575667D+00 -0.655049D+00 -0.267737D+00  0.245725D+01
      4  -0.315194D+00  0.190536D+01  0.247014D+01  0.234291D+01  0.145948D+01
      5   0.101553D+01  0.274588D+00  0.700653D+01 -0.141316D+00  0.749925D+00
      6   0.321094D+01 -0.513462D-01 -0.597268D-01  0.223170D+00  0.317813D+01
                96            97            98            99           100 
      1  -0.244200D+01  0.907618D+00 -0.511860D+01 -0.190990D+02  0.121067D+02
      2   0.409968D+01 -0.139148D+01  0.644277D+01 -0.172329D+02 -0.606750D+01
      3  -0.165768D+01  0.483863D+00 -0.132417D+01  0.363318D+02 -0.603923D+01
      4   0.107411D+01  0.402383D+01  0.174496D+01  0.584486D+00  0.208876D+02
      5  -0.298768D+00  0.542759D+01  0.353601D+00  0.635858D+01 -0.211595D+01
      6   0.709748D+01  0.120190D+01  0.648640D+01  0.259804D+02 -0.528098D+01
               101           102           103           104           105 
      1  -0.219300D+02 -0.176210D+00 -0.124150D+02 -0.736043D+01  0.631078D+01
      2   0.383266D+02  0.189517D+01  0.242946D+02  0.165134D+02 -0.444914D+01
      3  -0.163966D+02 -0.171896D+01 -0.118796D+02 -0.915297D+01 -0.186163D+01
      4   0.144507D+02 -0.441326D+01  0.149032D+02  0.286018D+02 -0.469790D+00
      5  -0.493902D+00  0.851597D+01 -0.961363D+00 -0.314387D+01  0.258274D+01
      6  -0.611644D+00  0.629869D+01  0.659078D+00 -0.851947D+01  0.107727D+02
               106           107           108           109           110 
      1  -0.109547D+01  0.108275D+02 -0.803065D+01  0.169916D+01  0.272507D+01
      2  -0.188435D+00 -0.165405D+02  0.677307D+00 -0.363382D+01 -0.163216D+01
      3   0.128391D+01  0.571301D+01  0.735334D+01  0.193466D+01 -0.109291D+01
      4  -0.743643D+01 -0.452724D+01  0.563496D+01  0.797258D+01 -0.211450D+02
      5   0.680158D+01  0.330403D+01 -0.979186D+00  0.139231D+02  0.225297D+01
      6   0.645321D+01  0.138835D+02 -0.565420D+01  0.330799D+01  0.293009D+01
               111           112           113           114           115 
      1   0.602234D+01  0.165484D+02 -0.247985D+02  0.333986D+01  0.180328D+02
      2  -0.620610D+01 -0.123345D+02  0.532948D+01  0.419952D+01 -0.563779D+01
      3   0.183756D+00 -0.421387D+01  0.194691D+02 -0.753938D+01 -0.123950D+02
      4   0.372498D+01 -0.363889D+02 -0.198603D+02  0.824650D+01 -0.253798D+01
      5  -0.103801D+01 -0.957584D+00  0.928849D+01  0.215853D+01 -0.632691D+01
      6   0.581519D+01  0.889207D+00  0.127483D+01 -0.562122D+01 -0.778041D+00
               116           117           118           119           120 
      1   0.908567D+00  0.101563D+02  0.405687D+01  0.109107D+01 -0.317045D+01
      2   0.160702D+01  0.128808D+02 -0.534888D+01 -0.872214D+00  0.211721D+01
      3  -0.251559D+01 -0.230372D+02  0.129201D+01 -0.218860D+00  0.105325D+01
      4   0.120669D+02 -0.111582D+02  0.805246D+00  0.153887D+01  0.505243D+00
      5  -0.883125D+01 -0.463201D+02 -0.362686D+01  0.297280D+00  0.872012D+01
      6  -0.178130D+01 -0.360455D+01 -0.279099D+00 -0.459470D-01 -0.392506D+00
               121           122           123           124           125 
      1   0.121801D+01 -0.534292D+01 -0.943684D+00 -0.628082D+01  0.115676D+01
      2  -0.106859D+01  0.186503D+01  0.211398D+00  0.753932D+01  0.812844D-01
      3  -0.149415D+00  0.347789D+01  0.732286D+00 -0.125850D+01 -0.123805D+01
      4   0.202820D+01  0.365840D+00 -0.242308D+01 -0.614307D+00 -0.361583D+01
      5  -0.798220D+00 -0.358469D+01  0.119499D+01  0.884749D+01  0.936920D+00
      6  -0.583284D+00 -0.391485D+00  0.807004D+01  0.916169D+00  0.543227D+01
               126           127           128           129           130 
      1  -0.175731D+02  0.780225D+01 -0.155325D+01 -0.598472D+00  0.477318D+00
      2  -0.178460D+02  0.162992D+01  0.690648D+01  0.877206D+00  0.634179D+01
      3   0.354191D+02 -0.943217D+01 -0.535322D+01 -0.278734D+00 -0.681911D+01
      4   0.331998D+00  0.705286D+01  0.173936D+02 -0.100187D+00  0.210932D+02
      5  -0.279181D+02 -0.775027D+00 -0.696937D+00  0.603430D+01 -0.138983D+01
      6  -0.336158D+01 -0.932055D+00  0.497905D+00 -0.124536D+01  0.838543D+00
               131           132           133           134           135 
      1  -0.353796D+02  0.250894D+00 -0.176919D+01 -0.601135D+01  0.257027D+01
      2   0.663029D+02  0.169877D+01  0.109351D+01  0.480627D+01  0.343910D-01
      3  -0.309233D+02 -0.194966D+01  0.675681D+00  0.120508D+01 -0.260466D+01
      4   0.240752D+02  0.107887D+01  0.708505D+00  0.314345D+01 -0.312694D+01
      5   0.723526D+00  0.921024D+00  0.369272D+01 -0.128378D+01  0.120241D+02
      6  -0.117236D+01  0.100642D+02 -0.221469D+01  0.225852D+01  0.334902D+02
               136           137           138           139           140 
      1   0.676758D+00 -0.804048D+00  0.141090D+01 -0.124877D+01 -0.569204D+01
      2  -0.368561D+01  0.850734D+00  0.729961D-01  0.165979D+01  0.409145D+01
      3   0.300885D+01 -0.466859D-01 -0.148390D+01 -0.411022D+00  0.160059D+01
      4  -0.573458D+00  0.330167D+01  0.364848D+01  0.263411D+01  0.197574D+01
      5   0.153953D+01  0.896736D+00  0.779842D+01  0.141484D+00  0.131418D+01
      6   0.446651D+01  0.164834D+00  0.672998D+00  0.414273D-02  0.444169D+01
               141           142           143           144           145 
      1  -0.254755D+01  0.770762D+00 -0.779774D+01 -0.211970D+02  0.462601D+02
      2   0.403650D+01 -0.765256D+00  0.559721D+01 -0.130019D+02 -0.206962D+02
      3  -0.148895D+01 -0.550552D-02  0.220053D+01  0.341988D+02 -0.255640D+02
      4   0.103733D+01  0.519047D+01  0.410437D+01  0.121996D+01 -0.361174D+02
      5  -0.160528D+00  0.597644D+01  0.249483D+01  0.130206D+02  0.378877D+01
      6   0.795229D+01  0.171392D+01  0.110874D+02  0.316105D+02 -0.489124D+01
               146           147           148           149           150 
      1  -0.401676D+01  0.606566D+01  0.552272D+00  0.195467D+01  0.608099D+00
      2  -0.395602D+01 -0.252774D+01 -0.217591D+01  0.785270D+00 -0.112534D+01
      3   0.797278D+01 -0.353791D+01  0.162364D+01 -0.273994D+01  0.517244D+00
      4   0.150750D+02 -0.324242D+01  0.470849D+01 -0.188451D+01  0.950961D+00
      5  -0.101043D+00  0.739120D+01  0.434316D+00  0.108778D+01 -0.129089D+01
      6  -0.151965D+00 -0.609168D+01 -0.162417D+00 -0.396556D+00  0.425961D+00
               151           152           153           154           155 
      1   0.108690D+02 -0.554760D+00  0.439135D+01  0.194392D+02  0.117493D+02
      2  -0.546803D+01 -0.125609D+01 -0.252365D+01 -0.657991D+01 -0.208432D+01
      3  -0.540101D+01  0.181085D+01 -0.186770D+01 -0.128593D+02 -0.966499D+01
      4  -0.883781D+01  0.357483D+01 -0.384894D+01  0.170634D+02  0.193495D+02
      5   0.644355D+01 -0.127710D+01  0.223179D+01 -0.170790D+01 -0.173082D+01
      6  -0.416852D+01  0.164496D+01 -0.805170D+00 -0.467189D+00  0.552064D+00
               156           157           158           159           160 
      1  -0.248493D+01  0.244821D+02  0.130797D+02 -0.117211D+01 -0.667203D+01
      2   0.295122D+00 -0.774212D+01  0.368607D+01 -0.136373D+01  0.256751D+01
      3   0.218981D+01 -0.167400D+02 -0.167658D+02  0.253584D+01  0.410452D+01
      4  -0.217777D+01  0.273045D+02  0.353357D+02 -0.467235D+01 -0.695543D+01
      5   0.541556D+01 -0.211070D+01 -0.488060D+01  0.749515D+01  0.520585D+01
      6   0.192443D+01  0.127619D-01 -0.542303D+00  0.260521D+01  0.191015D+01
               161           162           163           164           165 
      1  -0.374639D+01  0.269701D+01 -0.595154D+01  0.174423D+02  0.442299D+00
      2  -0.572596D-01 -0.780252D+00  0.100163D+02 -0.279278D+02 -0.113046D+01
      3   0.380365D+01 -0.191676D+01 -0.406472D+01  0.104855D+02  0.688158D+00
      4  -0.908345D+01  0.494046D+01 -0.100531D+02  0.612126D+01  0.141167D+01
      5   0.488326D+01 -0.159937D+01  0.406127D+00 -0.953198D+00 -0.123804D+01
      6   0.268770D+01 -0.136341D+01  0.170814D+01 -0.708806D+00 -0.345054D+01
               166           167           168           169           170 
      1   0.883887D+01 -0.282748D+02 -0.807867D+00  0.110787D+01 -0.427955D+01
      2  -0.131959D+02  0.477336D+02  0.235545D+01 -0.185142D+01  0.639167D+01
      3   0.435706D+01 -0.194588D+02 -0.154758D+01  0.743552D+00 -0.211212D+01
      4   0.984229D+01 -0.619718D+01 -0.633198D+00  0.177335D+01 -0.120684D+01
      5  -0.812235D+00  0.101870D+01  0.578207D+00  0.768162D+00  0.765320D-01
      6  -0.903094D+00  0.115408D+01  0.720576D+01 -0.188233D+01  0.533651D+01
               171           172           173           174           175 
      1  -0.280118D+01  0.685304D+02 -0.974528D+01 -0.771792D+01 -0.105182D+02
      2   0.372754D+01 -0.359958D+02 -0.265914D+01  0.704562D+01  0.107300D+01
      3  -0.926357D+00 -0.325346D+02  0.124044D+02  0.672300D+00  0.944518D+01
      4  -0.110869D+01 -0.266304D+02  0.337438D+02  0.662933D+00  0.350595D+02
      5  -0.815886D+00 -0.107659D+02 -0.113901D+00  0.160250D+02  0.112745D+01
      6   0.350996D+00  0.982383D+00 -0.468836D+00 -0.548731D+01 -0.450036D+00
               176           177           178           179           180 
      1   0.292124D+02 -0.521479D+01 -0.187373D+02  0.777458D+00  0.667482D+01
      2  -0.164634D+02  0.119053D+01  0.101637D+02  0.253721D+01 -0.123771D+02
      3  -0.127489D+02  0.402426D+01  0.857361D+01 -0.331467D+01  0.570229D+01
      4   0.428549D+01 -0.604356D+01  0.794926D+01 -0.123457D+02 -0.572500D+01
      5  -0.767492D+01 -0.217640D+00  0.211392D+02 -0.616441D+01 -0.698195D+01
      6   0.358465D+01  0.978701D+01 -0.398568D+01  0.666959D+01  0.418796D+01
               181           182           183           184           185 
      1  -0.150262D+01  0.155987D+01  0.846680D+01 -0.251781D+01  0.579635D+00
      2  -0.192964D+01 -0.450334D+00 -0.409003D+01  0.201736D+01 -0.158384D+01
      3   0.343226D+01 -0.110954D+01 -0.437677D+01  0.500447D+00  0.100421D+01
      4   0.111630D+01  0.380338D+01 -0.235534D+00  0.622325D+01  0.302395D+01
      5   0.673088D+01 -0.266277D+00  0.491795D+01 -0.103057D+00  0.533976D+01
      6  -0.515385D-02 -0.797499D+00 -0.504376D+00  0.464732D+00  0.861341D+00
               186           187           188           189           190 
      1  -0.132301D+01  0.121900D+02 -0.464594D+01 -0.152720D+02  0.200637D+02
      2   0.421226D+00 -0.955059D+01  0.375548D+00 -0.199085D+02 -0.711272D+01
      3   0.901780D+00 -0.263945D+01  0.427039D+01  0.351805D+02 -0.129510D+02
      4   0.549076D+01  0.137225D+00  0.931005D+01  0.915486D+01  0.181955D+02
      5  -0.683986D+00  0.139716D+02  0.706678D+01  0.534064D+02 -0.508704D+01
      6   0.635621D+01  0.922921D+00  0.655876D+01  0.479573D+01 -0.112641D+01
               191           192           193           194           195 
      1   0.129938D+02 -0.504540D+01  0.189706D+02  0.935251D+01 -0.747715D+00
      2  -0.372290D+01  0.184271D+01 -0.607763D+01  0.741735D+01 -0.149324D+01
      3  -0.927087D+01  0.320269D+01 -0.128929D+02 -0.167699D+02  0.224095D+01
      4   0.208741D+02 -0.236896D+01  0.248882D+02  0.418277D+02 -0.621650D+01
      5  -0.174203D+01  0.592451D+01 -0.177624D+01 -0.568035D+01  0.729834D+01
      6  -0.515545D+00  0.200569D+01 -0.463377D+00 -0.209655D+01  0.411750D+01
               196           197           198           199           200 
      1  -0.101790D+02 -0.159614D+01  0.210650D+01 -0.140986D+01 -0.161918D+00
      2   0.457930D+01 -0.760766D+00 -0.246289D+01  0.110353D+01  0.126166D+01
      3   0.559967D+01  0.235690D+01  0.356396D+00  0.306326D+00 -0.109975D+01
      4  -0.427233D+01 -0.112931D+02  0.760914D+01  0.232242D+01  0.324503D+01
      5   0.732104D+01  0.776621D+01 -0.190565D+01 -0.128938D+01 -0.111359D+01
      6   0.213676D+01  0.424939D+01 -0.252121D+01 -0.272106D+01 -0.117231D+01
               201           202           203           204           205 
      1  -0.557316D+00  0.710512D+00 -0.429916D+01  0.237773D+01 -0.142703D+01
      2   0.107132D-01  0.146175D+00  0.648286D+01 -0.451698D+01  0.298929D+00
      3   0.546603D+00 -0.856687D+00 -0.218371D+01  0.213925D+01  0.112810D+01
      4  -0.325690D+01  0.295912D+01  0.216308D+01 -0.163809D+01 -0.795429D+01
      5   0.248185D+01 -0.196032D+00 -0.141926D+01  0.160642D+01  0.386101D+01
      6   0.202026D+01 -0.743787D+00 -0.433781D+01  0.544480D+01  0.476588D+01
               206           207           208           209           210 
      1   0.126425D+02 -0.141315D+02 -0.108733D+02 -0.818797D+01  0.195327D+01
      2  -0.151918D+02  0.345302D+01  0.739538D+01  0.832881D+01 -0.103885D+01
      3   0.254932D+01  0.106785D+02  0.347796D+01 -0.140838D+00 -0.914411D+00
      4  -0.753877D+01  0.698840D+01  0.922108D+00 -0.104264D+02  0.227173D+00
      5   0.525609D+01 -0.140760D+02  0.134332D+01  0.122804D+01 -0.229393D+01
      6   0.170408D+02 -0.399213D+02 -0.666561D+00 -0.776846D+00  0.279359D+00
               211           212           213           214           215 
      1  -0.201278D+02 -0.165489D+02  0.244508D+01  0.372853D+01  0.286563D+01
      2   0.119008D+02  0.243512D+02 -0.297694D+01 -0.216871D+01 -0.317430D+01
      3   0.822700D+01 -0.780233D+01  0.531854D+00 -0.155981D+01  0.308668D+00
      4   0.370760D+01 -0.375921D+02  0.195693D+01 -0.299855D+00  0.562653D+01
      5   0.221251D+01  0.317086D+01 -0.920132D+01  0.108254D+01 -0.353877D+01
      6  -0.505274D-01 -0.157635D+01  0.344617D+01  0.406130D+00  0.349804D+01
               216 
      1  -0.152207D+01
      2   0.158055D+01
      3  -0.584707D-01
      4  -0.286024D+01
      5  -0.163304D+00
      6  -0.815575D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.182242D+01      0.463212D+01      0.154511D+02
   x         -0.160935D+01     -0.409056D+01     -0.136446D+02
   y         -0.237664D+00     -0.604082D+00     -0.201500D+01
   z          0.821406D+00      0.208781D+01      0.696417D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119665D+03      0.177325D+02      0.197301D+02
   aniso      0.179092D+02      0.265388D+01      0.295284D+01
   xx         0.126445D+03      0.187372D+02      0.208480D+02
   yx         0.307544D+01      0.455732D+00      0.507071D+00
   yy         0.124177D+03      0.184011D+02      0.204740D+02
   zx        -0.358596D+00     -0.531385D-01     -0.591245D-01
   zy        -0.634450D+00     -0.940157D-01     -0.104607D+00
   zz         0.108373D+03      0.160592D+02      0.178682D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.112084D+03      0.166091D+02      0.184801D+02
   aniso      0.226537D+02      0.335694D+01      0.373510D+01
   xx         0.121817D+03      0.180514D+02      0.200849D+02
   yx         0.168036D+01      0.249003D+00      0.277054D+00
   yy         0.117067D+03      0.173476D+02      0.193018D+02
   zx         0.305223D-03      0.452294D-04      0.503245D-04
   zy        -0.400086D+00     -0.592866D-01     -0.659653D-01
   zz         0.973668D+02      0.144283D+02      0.160536D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.45663162          2.00010418          1.41649171
     6         -0.97410759         -0.41080423          2.89770383
     6          0.51399457          2.35059242         -0.64289062
     6          0.65072452         -0.02408092         -2.27355009
     8          1.15522080         -2.17403126         -0.71340614
     6         -0.76279484         -2.66229506          1.09597113
     8         -1.36864485          4.18381359          2.98446448
     1         -3.32084176          1.85628168          0.51966115
     8         -3.01593945         -0.70904739          4.61314046
     1          0.82191862         -0.22915166          3.91921655
     1          2.35954164          2.65614969          0.25180995
     8         -0.10769818          4.42742005         -2.22726293
     6          2.75310245          0.07191529         -4.21454910
     1         -1.16348669         -0.28847301         -3.24357315
     8         -0.18111376         -4.90015581          2.35352163
     1         -2.57435351         -2.98841336          0.14831257
     1         -2.67961098          4.02906651          4.24277272
     1         -2.68836431         -2.16889092          5.65568100
     1         -0.46900873          5.84875943         -1.14039048
     8          2.78098809         -2.12986547         -5.75424288
     1          4.56298118          0.31343840         -3.23555454
     1          2.46413178          1.68097933         -5.46207682
     1          1.39640436         -4.67880650          3.25222033
     1          2.84246654         -3.56860967         -4.63284994

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.182242D+01      0.463212D+01      0.154511D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.182242D+01      0.463212D+01      0.154511D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.119665D+03      0.177325D+02      0.197301D+02
   aniso      0.179092D+02      0.265388D+01      0.295284D+01
   xx         0.111907D+03      0.165830D+02      0.184510D+02
   yx        -0.102208D+01     -0.151456D+00     -0.168518D+00
   yy         0.123284D+03      0.182688D+02      0.203268D+02
   zx        -0.688607D+01     -0.102041D+01     -0.113536D+01
   zy        -0.363988D+01     -0.539374D+00     -0.600135D+00
   zz         0.123803D+03      0.183458D+02      0.204124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.112084D+03      0.166091D+02      0.184801D+02
   aniso      0.226537D+02      0.335694D+01      0.373510D+01
   xx         0.102653D+03      0.152116D+02      0.169252D+02
   yx        -0.200964D+01     -0.297798D+00     -0.331345D+00
   yy         0.116395D+03      0.172480D+02      0.191910D+02
   zx        -0.970435D+01     -0.143804D+01     -0.160003D+01
   zy        -0.244558D+01     -0.362398D+00     -0.403222D+00
   zz         0.117203D+03      0.173677D+02      0.193242D+02

 ----------------------------------------------------------------------
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 We make a living by what we get,
 we make a life by what we give.
                   -- Sir Winston Churchill
 Job cpu time:       0 days  2 hours 48 minutes 47.4 seconds.
 Elapsed time:       0 days  0 hours 21 minutes 10.8 seconds.
 File lengths (MBytes):  RWF=    399 Int=      0 D2E=      0 Chk=     19 Scr=      1
 Normal termination of Gaussian 16 at Wed Mar 16 20:03:12 2022.
